N-[[(2R,4R)-1-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-(1-methylimidazol-2-yl)propanamide

C19H29N7O2 — CID 146113650

IUPACN-[[(2R,4R)-1-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-(1-methylimidazol-2-yl)propanamide
SMILESCCN(C)c1cc(N2C[C@H](O)C[C@@H]2CNC(=O)CCc2nccn2C)ncn1
InChIInChI=1S/C19H29N7O2/c1-4-24(2)17-10-18(23-13-22-17)26-12-15(27)9-14(26)11-21-19(28)6-5-16-20-7-8-25(16)3/h7-8,10,13-15,27H,4-6,9,11-12H2,1-3H3,(H,21,28)/t14-,15-/m1/s1
InChIKeyGWVRGMRFFXBNQF-HUUCEWRRSA-N
MW387.49 g/mol
LogP0.35
Rot. Bonds8

About N-[[(2R,4R)-1-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-(1-methylimidazol-2-yl)propanamide

N-[[(2R,4R)-1-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-(1-methylimidazol-2-yl)propanamide (PubChem CID 146113650) has the molecular formula C19H29N7O2 and a molecular weight of 387.49 g/mol. Its IUPAC name is N-[[(2R,4R)-1-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-(1-methylimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[[(2R,4R)-1-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-(1-methylimidazol-2-yl)propanamide
PubChem CID146113650
Molecular FormulaC19H29N7O2
Molecular Weight387.49 g/mol
Exact Mass387.24
IUPAC NameN-[[(2R,4R)-1-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-(1-methylimidazol-2-yl)propanamide
SMILESCCN(C)c1cc(N2C[C@H](O)C[C@@H]2CNC(=O)CCc2nccn2C)ncn1
InChIInChI=1S/C19H29N7O2/c1-4-24(2)17-10-18(23-13-22-17)26-12-15(27)9-14(26)11-21-19(28)6-5-16-20-7-8-25(16)3/h7-8,10,13-15,27H,4-6,9,11-12H2,1-3H3,(H,21,28)/t14-,15-/m1/s1
InChIKeyGWVRGMRFFXBNQF-HUUCEWRRSA-N
XLogP0.35
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[(2R,4R)-1-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-(1-methylimidazol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpyridine-4-carboxamide
CID 146113624
N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 146113645
[1-[6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133432045
(3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyrrolidin-3-ol
CID 146112893
(2S,4S)-4-hydroxy-1-[2-(1-methylimidazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 64713411
(3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[[(2-pyridin-2-ylpyrazol-3-yl)methylamino]methyl]pyrrolidin-3-ol
CID 154797256
(3R,5R)-1-[6-(dimethylamino)pyrimidin-4-yl]-5-[(5,6,7,8-tetrahydroquinolin-5-ylamino)methyl]pyrrolidin-3-ol
CID 166285882
N-[(3S,4R)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methoxypyrrolidin-3-yl]-3-(1-methylimidazol-2-yl)propanamide
CID 146113439
5-[(dimethylamino)methyl]-1-(1-methylimidazol-2-yl)pyrrolidin-3-ol
CID 66054145
[1-[6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133431923
1-(2-adamantyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811939
6-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-ethyl-N-methylpyrimidin-4-amine
CID 124824334

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,4R)-1-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-(1-methylimidazol-2-yl)propanamide?
The IUPAC name of N-[[(2R,4R)-1-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-(1-methylimidazol-2-yl)propanamide (CID 146113650) is N-[[(2R,4R)-1-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-(1-methylimidazol-2-yl)propanamide.
What is the SMILES notation for N-[[(2R,4R)-1-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-(1-methylimidazol-2-yl)propanamide?
The canonical SMILES for N-[[(2R,4R)-1-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-(1-methylimidazol-2-yl)propanamide is CCN(C)c1cc(N2C[C@H](O)C[C@@H]2CNC(=O)CCc2nccn2C)ncn1.
What is the InChIKey of N-[[(2R,4R)-1-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-(1-methylimidazol-2-yl)propanamide?
The InChIKey is GWVRGMRFFXBNQF-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H29N7O2/c1-4-24(2)17-10-18(23-13-22-17)26-12-15(27)9-14(26)11-21-19(28)6-5-16-20-7-8-25(16)3/h7-8,10,13-15,27H,4-6,9,11-12H2,1-3H3,(H,21,28)/t14-,15-/m1/s1.
What are the key properties of N-[[(2R,4R)-1-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-(1-methylimidazol-2-yl)propanamide?
N-[[(2R,4R)-1-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-(1-methylimidazol-2-yl)propanamide has a molecular weight of 387.49 g/mol, XLogP of 0.35, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,4R)-1-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-3-(1-methylimidazol-2-yl)propanamide is sourced from PubChem (CID 146113650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).