1-[6-[(1-ethenyl-2-methyl-2H-pyridin-4-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol

C17H23N5O — CID 142336989

IUPAC1-[6-[(1-ethenyl-2-methyl-2H-pyridin-4-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol
SMILESC=CN1C=CC(Nc2cc(N3CCC(O)C3)nc(C)n2)=CC1C
InChIInChI=1S/C17H23N5O/c1-4-21-7-5-14(9-12(21)2)20-16-10-17(19-13(3)18-16)22-8-6-15(23)11-22/h4-5,7,9-10,12,15,23H,1,6,8,11H2,2-3H3,(H,18,19,20)
InChIKeyZHINFWHRBSNYIJ-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.01
Rot. Bonds4

About 1-[6-[(1-ethenyl-2-methyl-2H-pyridin-4-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol

1-[6-[(1-ethenyl-2-methyl-2H-pyridin-4-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 142336989) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-[6-[(1-ethenyl-2-methyl-2H-pyridin-4-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[6-[(1-ethenyl-2-methyl-2H-pyridin-4-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID142336989
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name1-[6-[(1-ethenyl-2-methyl-2H-pyridin-4-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol
SMILESC=CN1C=CC(Nc2cc(N3CCC(O)C3)nc(C)n2)=CC1C
InChIInChI=1S/C17H23N5O/c1-4-21-7-5-14(9-12(21)2)20-16-10-17(19-13(3)18-16)22-8-6-15(23)11-22/h4-5,7,9-10,12,15,23H,1,6,8,11H2,2-3H3,(H,18,19,20)
InChIKeyZHINFWHRBSNYIJ-UHFFFAOYSA-N
XLogP2.01
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[6-[(1-ethenyl-2-methyl-2H-pyridin-4-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol with MolForge

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Related Compounds

(3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol
CID 167833801
1-(6-hydrazinyl-2-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 80919413
1-[5-[[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]amino]-4-methanimidoyl-2-methylphenyl]piperidin-4-ol
CID 155469076
2-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 153405898
2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile
CID 104969574
2-methyl-6-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112869240
(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 122456358
1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-3-ol
CID 115915565
N,2-dimethyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-amine
CID 129372098
N-(2-chloro-4-hydroxy-6-methylphenyl)-2-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 163651063
N-(3,4-difluorophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876634
1-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80957698

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(1-ethenyl-2-methyl-2H-pyridin-4-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[6-[(1-ethenyl-2-methyl-2H-pyridin-4-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol (CID 142336989) is 1-[6-[(1-ethenyl-2-methyl-2H-pyridin-4-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[6-[(1-ethenyl-2-methyl-2H-pyridin-4-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[6-[(1-ethenyl-2-methyl-2H-pyridin-4-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol is C=CN1C=CC(Nc2cc(N3CCC(O)C3)nc(C)n2)=CC1C.
What is the InChIKey of 1-[6-[(1-ethenyl-2-methyl-2H-pyridin-4-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is ZHINFWHRBSNYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-4-21-7-5-14(9-12(21)2)20-16-10-17(19-13(3)18-16)22-8-6-15(23)11-22/h4-5,7,9-10,12,15,23H,1,6,8,11H2,2-3H3,(H,18,19,20).
What are the key properties of 1-[6-[(1-ethenyl-2-methyl-2H-pyridin-4-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol?
1-[6-[(1-ethenyl-2-methyl-2H-pyridin-4-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 313.41 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(1-ethenyl-2-methyl-2H-pyridin-4-yl)amino]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 142336989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).