[1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol

C15H25N5O — CID 156607349

IUPAC[1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
SMILESNc1nccc(N2CC(CO)C(CN3CCCCC3)C2)n1
InChIInChI=1S/C15H25N5O/c16-15-17-5-4-14(18-15)20-9-12(13(10-20)11-21)8-19-6-2-1-3-7-19/h4-5,12-13,21H,1-3,6-11H2,(H2,16,17,18)
InChIKeyIUHNWPUFMAQPFB-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.59
Rot. Bonds4

About [1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol

[1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol (PubChem CID 156607349) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is [1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
PubChem CID156607349
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name[1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
SMILESNc1nccc(N2CC(CO)C(CN3CCCCC3)C2)n1
InChIInChI=1S/C15H25N5O/c16-15-17-5-4-14(18-15)20-9-12(13(10-20)11-21)8-19-6-2-1-3-7-19/h4-5,12-13,21H,1-3,6-11H2,(H2,16,17,18)
InChIKeyIUHNWPUFMAQPFB-UHFFFAOYSA-N
XLogP0.59
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R,4R)-1-[2-amino-6-(methylamino)pyrimidin-4-yl]-4-(azepan-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 72925475
1-(2-aminopyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 178108022
4-(azetidin-1-yl)pyrimidin-2-amine
CID 118975953
[(3R,4R)-1-(1,3-benzothiazol-2-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70734178
[(3R,4R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70726029
2-[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
CID 70763911
[(3R,4R)-1-(5-ethyl-2-methylpyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70779426
6-[(3R,4R)-3-(hydroxymethyl)-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 72886174
[(3R,4R)-3-(azepan-1-ylmethyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 70765948
2-[2-[(3R,4R)-3-(azepan-1-ylmethyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazol-4-yl]ethanol
CID 153375266
4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyrimidin-2-amine
CID 59631605
4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrimidin-2-amine
CID 178108093

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol (CID 156607349) is [1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol is Nc1nccc(N2CC(CO)C(CN3CCCCC3)C2)n1.
What is the InChIKey of [1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The InChIKey is IUHNWPUFMAQPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c16-15-17-5-4-14(18-15)20-9-12(13(10-20)11-21)8-19-6-2-1-3-7-19/h4-5,12-13,21H,1-3,6-11H2,(H2,16,17,18).
What are the key properties of [1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
[1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol has a molecular weight of 291.40 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminopyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 156607349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).