2-methyl-1-[[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]propan-2-ol

C13H23N5O — CID 58227103

IUPAC2-methyl-1-[[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]propan-2-ol
SMILESCN[C@@H]1CCN(c2ccnc(NCC(C)(C)O)n2)C1
InChIInChI=1S/C13H23N5O/c1-13(2,19)9-16-12-15-6-4-11(17-12)18-7-5-10(8-18)14-3/h4,6,10,14,19H,5,7-9H2,1-3H3,(H,15,16,17)/t10-/m1/s1
InChIKeyXIUWYDQCVIWPSQ-SNVBAGLBSA-N
MW265.36 g/mol
LogP0.46
Rot. Bonds5

About 2-methyl-1-[[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]propan-2-ol

2-methyl-1-[[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]propan-2-ol (PubChem CID 58227103) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-methyl-1-[[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]propan-2-ol
PubChem CID58227103
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-methyl-1-[[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]propan-2-ol
SMILESCN[C@@H]1CCN(c2ccnc(NCC(C)(C)O)n2)C1
InChIInChI=1S/C13H23N5O/c1-13(2,19)9-16-12-15-6-4-11(17-12)18-7-5-10(8-18)14-3/h4,6,10,14,19H,5,7-9H2,1-3H3,(H,15,16,17)/t10-/m1/s1
InChIKeyXIUWYDQCVIWPSQ-SNVBAGLBSA-N
XLogP0.46
TPSA73.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-methyl-1-[[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]propan-2-ol with MolForge

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Related Compounds

N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227252
(3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 118720438
N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227148
4-[(3R)-3-aminopyrrolidin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155525278
4-[3-(methylamino)azetidin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 44548366
tert-butyl N-[(3R)-1-[2-(2-methylpropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]carbamate
CID 67087344
CID 87167788
CID 87167788
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrimidin-2-amine
CID 67087373
1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 53485967
(3R)-1-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 95123079
4-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine
CID 80827872
1-[1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 112629686

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]propan-2-ol (CID 58227103) is 2-methyl-1-[[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]propan-2-ol is CN[C@@H]1CCN(c2ccnc(NCC(C)(C)O)n2)C1.
What is the InChIKey of 2-methyl-1-[[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]propan-2-ol?
The InChIKey is XIUWYDQCVIWPSQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23N5O/c1-13(2,19)9-16-12-15-6-4-11(17-12)18-7-5-10(8-18)14-3/h4,6,10,14,19H,5,7-9H2,1-3H3,(H,15,16,17)/t10-/m1/s1.
What are the key properties of 2-methyl-1-[[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]propan-2-ol?
2-methyl-1-[[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]propan-2-ol has a molecular weight of 265.36 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]propan-2-ol is sourced from PubChem (CID 58227103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).