(2R)-2-[[(2S)-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]-2-phenylacetamide

C18H24N6O — CID 100838473

IUPAC(2R)-2-[[(2S)-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]-2-phenylacetamide
SMILESCNc1cc(N2CCC[C@H]2CN[C@@H](C(N)=O)c2ccccc2)ncn1
InChIInChI=1S/C18H24N6O/c1-20-15-10-16(23-12-22-15)24-9-5-8-14(24)11-21-17(18(19)25)13-6-3-2-4-7-13/h2-4,6-7,10,12,14,17,21H,5,8-9,11H2,1H3,(H2,19,25)(H,20,22,23)/t14-,17+/m0/s1
InChIKeyALPDQKJBLFEGAR-WMLDXEAASA-N
MW340.43 g/mol
LogP1.30
Rot. Bonds7

About (2R)-2-[[(2S)-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]-2-phenylacetamide

(2R)-2-[[(2S)-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]-2-phenylacetamide (PubChem CID 100838473) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is (2R)-2-[[(2S)-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[(2S)-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]-2-phenylacetamide
PubChem CID100838473
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name(2R)-2-[[(2S)-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]-2-phenylacetamide
SMILESCNc1cc(N2CCC[C@H]2CN[C@@H](C(N)=O)c2ccccc2)ncn1
InChIInChI=1S/C18H24N6O/c1-20-15-10-16(23-12-22-15)24-9-5-8-14(24)11-21-17(18(19)25)13-6-3-2-4-7-13/h2-4,6-7,10,12,14,17,21H,5,8-9,11H2,1H3,(H2,19,25)(H,20,22,23)/t14-,17+/m0/s1
InChIKeyALPDQKJBLFEGAR-WMLDXEAASA-N
XLogP1.30
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[[(2R)-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]-2-phenylacetamide
CID 95764406
N-methyl-6-[2-[[[phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 166204057
6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carboxamide
CID 146089677
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
N-methyl-4-[[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]methyl]benzamide
CID 119126315
1-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122004296
1-methyl-3-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-1-[(5-phenyl-1H-imidazol-2-yl)methyl]urea
CID 166222738
3,3-difluoro-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]butanamide
CID 136536244
6-[2-[[(3-ethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 119127232
propan-2-yl 2-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxylate
CID 133470303
N,N-dimethyl-6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide
CID 146087317
N-methyl-6-[2-[[(4-methylphenyl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 119127313

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]-2-phenylacetamide?
The IUPAC name of (2R)-2-[[(2S)-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]-2-phenylacetamide (CID 100838473) is (2R)-2-[[(2S)-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[(2S)-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[(2S)-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]-2-phenylacetamide is CNc1cc(N2CCC[C@H]2CN[C@@H](C(N)=O)c2ccccc2)ncn1.
What is the InChIKey of (2R)-2-[[(2S)-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]-2-phenylacetamide?
The InChIKey is ALPDQKJBLFEGAR-WMLDXEAASA-N. The full InChI is InChI=1S/C18H24N6O/c1-20-15-10-16(23-12-22-15)24-9-5-8-14(24)11-21-17(18(19)25)13-6-3-2-4-7-13/h2-4,6-7,10,12,14,17,21H,5,8-9,11H2,1H3,(H2,19,25)(H,20,22,23)/t14-,17+/m0/s1.
What are the key properties of (2R)-2-[[(2S)-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]-2-phenylacetamide?
(2R)-2-[[(2S)-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]-2-phenylacetamide has a molecular weight of 340.43 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]-2-phenylacetamide is sourced from PubChem (CID 100838473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).