[4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrrol-3-yl)methanone

C15H18N4O2 — CID 144769913

IUPAC[4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)c1cncnc1NC1CCC(CO)C1
InChIInChI=1S/C15H18N4O2/c20-8-10-1-2-12(5-10)19-15-13(7-17-9-18-15)14(21)11-3-4-16-6-11/h3-4,6-7,9-10,12,16,20H,1-2,5,8H2,(H,17,18,19)
InChIKeyCPNVKCOJHSQWOF-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.61
Rot. Bonds5

About [4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrrol-3-yl)methanone

[4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrrol-3-yl)methanone (PubChem CID 144769913) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is [4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name[4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrrol-3-yl)methanone
PubChem CID144769913
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name[4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)c1cncnc1NC1CCC(CO)C1
InChIInChI=1S/C15H18N4O2/c20-8-10-1-2-12(5-10)19-15-13(7-17-9-18-15)14(21)11-3-4-16-6-11/h3-4,6-7,9-10,12,16,20H,1-2,5,8H2,(H,17,18,19)
InChIKeyCPNVKCOJHSQWOF-UHFFFAOYSA-N
XLogP1.61
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-[1-(2-phenylethynyl)pyrrol-3-yl]methanone
CID 144770047
[4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(5-phenylsulfanylfuran-2-yl)methanone
CID 144991368
[4-[[3-(aminosulfanyloxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-[5-chloro-4-(hydroxymethyl)thiophen-2-yl]methanone
CID 144991352
[(1R,3S)-3-[[5-[4-(hydroxymethyl)thiophene-2-carbonyl]pyrimidin-4-yl]amino]cyclopentyl]methyl sulfamate
CID 139354504
[3-[[5-(1-benzylpyrazole-3-carbonyl)pyrimidin-4-yl]amino]cyclopentyl]methyl sulfamate
CID 123309034
[(1R,3S)-3-[[5-(5-benzylthiophene-2-carbonyl)pyrimidin-4-yl]amino]cyclopentyl]methyl sulfamate
CID 139354224
methyl 4-[(4-methylcyclohexyl)amino]pyrimidine-5-carboxylate
CID 114214703
[4-[[3-[[amino(methyl)amino]sulfanylperoxymethyl]cyclopentyl]amino]pyrimidin-5-yl]-(1-benzylpyrrol-3-yl)methanone
CID 144769938
4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 142718123
[4-[[3-(aminosulfanyloxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-[4-(methoxymethyl)thiophen-2-yl]methanone
CID 144991795
5-[1-[(6-methyl-2-pyridinyl)methyl]pyrazole-3-carbonyl]-4-[[3-(sulfinamoyloxymethyl)cyclopentyl]amino]pyrimidine
CID 123379956
[3-[[5-[1-[(5-chlorothiophen-2-yl)methyl]pyrazole-3-carbonyl]pyrimidin-4-yl]amino]cyclopentyl]methyl sulfamate
CID 123689109

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrrol-3-yl)methanone?
The IUPAC name of [4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrrol-3-yl)methanone (CID 144769913) is [4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for [4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for [4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrrol-3-yl)methanone is O=C(c1cc[nH]c1)c1cncnc1NC1CCC(CO)C1.
What is the InChIKey of [4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrrol-3-yl)methanone?
The InChIKey is CPNVKCOJHSQWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-8-10-1-2-12(5-10)19-15-13(7-17-9-18-15)14(21)11-3-4-16-6-11/h3-4,6-7,9-10,12,16,20H,1-2,5,8H2,(H,17,18,19).
What are the key properties of [4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrrol-3-yl)methanone?
[4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrrol-3-yl)methanone has a molecular weight of 286.33 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(hydroxymethyl)cyclopentyl]amino]pyrimidin-5-yl]-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 144769913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).