N-[6-[[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino]pyrimidin-4-yl]benzamide;methane

C18H24N4O3 — CID 159799641

IUPACN-[6-[[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino]pyrimidin-4-yl]benzamide;methane
SMILESC.O=C(Nc1cc(N[C@@H]2C[C@H](CO)[C@@H](O)C2)ncn1)c1ccccc1
InChIInChI=1S/C17H20N4O3.CH4/c22-9-12-6-13(7-14(12)23)20-15-8-16(19-10-18-15)21-17(24)11-4-2-1-3-5-11;/h1-5,8,10,12-14,22-23H,6-7,9H2,(H2,18,19,20,21,24);1H4/t12-,13-,14+;/m1./s1
InChIKeyNJPSXRWPRWKYEQ-NNNATCHMSA-N
MW344.42 g/mol
LogP1.91
Rot. Bonds5

About N-[6-[[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino]pyrimidin-4-yl]benzamide;methane

N-[6-[[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino]pyrimidin-4-yl]benzamide;methane (PubChem CID 159799641) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[6-[[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino]pyrimidin-4-yl]benzamide;methane.

Molecular Properties

Compound NameN-[6-[[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino]pyrimidin-4-yl]benzamide;methane
PubChem CID159799641
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[6-[[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino]pyrimidin-4-yl]benzamide;methane
SMILESC.O=C(Nc1cc(N[C@@H]2C[C@H](CO)[C@@H](O)C2)ncn1)c1ccccc1
InChIInChI=1S/C17H20N4O3.CH4/c22-9-12-6-13(7-14(12)23)20-15-8-16(19-10-18-15)21-17(24)11-4-2-1-3-5-11;/h1-5,8,10,12-14,22-23H,6-7,9H2,(H2,18,19,20,21,24);1H4/t12-,13-,14+;/m1./s1
InChIKeyNJPSXRWPRWKYEQ-NNNATCHMSA-N
XLogP1.91
TPSA107.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[6-[[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino]pyrimidin-4-yl]benzamide;methane with MolForge

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Related Compounds

N-[6-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]oxypyrimidin-4-yl]benzamide
CID 174243972
N-[6-[(1R,3S,4S)-3-ethyl-4-hydroxycyclopentyl]oxypyrimidin-4-yl]benzamide
CID 159358233
N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide
CID 113038827
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]quinoxaline-2-carboxamide
CID 98783711
[(1R,2S,4R)-2-hydroxy-4-[[6-(2-phenylethynyl)pyrimidin-4-yl]amino]cyclopentyl]methyl sulfamate
CID 118421585
N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2,2-diphenylacetamide
CID 97039942
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-phenyltriazole-4-carboxamide
CID 98783355
3-cyano-N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide
CID 98783757
N-(4-cyclopropyl-2-pyridinyl)benzamide
CID 140765291
N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-pyrrol-1-ylbenzamide
CID 97039686
[(1S,2S,4R)-2-hydroxy-4-[[6-[[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]amino]cyclopentyl]methylsulfamic acid
CID 71272473
N-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 65389198

Frequently Asked Questions

What is the IUPAC name of N-[6-[[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino]pyrimidin-4-yl]benzamide;methane?
The IUPAC name of N-[6-[[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino]pyrimidin-4-yl]benzamide;methane (CID 159799641) is N-[6-[[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino]pyrimidin-4-yl]benzamide;methane.
What is the SMILES notation for N-[6-[[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino]pyrimidin-4-yl]benzamide;methane?
The canonical SMILES for N-[6-[[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino]pyrimidin-4-yl]benzamide;methane is C.O=C(Nc1cc(N[C@@H]2C[C@H](CO)[C@@H](O)C2)ncn1)c1ccccc1.
What is the InChIKey of N-[6-[[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino]pyrimidin-4-yl]benzamide;methane?
The InChIKey is NJPSXRWPRWKYEQ-NNNATCHMSA-N. The full InChI is InChI=1S/C17H20N4O3.CH4/c22-9-12-6-13(7-14(12)23)20-15-8-16(19-10-18-15)21-17(24)11-4-2-1-3-5-11;/h1-5,8,10,12-14,22-23H,6-7,9H2,(H2,18,19,20,21,24);1H4/t12-,13-,14+;/m1./s1.
What are the key properties of N-[6-[[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino]pyrimidin-4-yl]benzamide;methane?
N-[6-[[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino]pyrimidin-4-yl]benzamide;methane has a molecular weight of 344.42 g/mol, XLogP of 1.91, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]amino]pyrimidin-4-yl]benzamide;methane is sourced from PubChem (CID 159799641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).