2-(cyclobutylamino)-4-[[3-(hydroxymethyl)cyclopentyl]amino]-5-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one

C17H23N5O2S — CID 137296172

IUPAC2-(cyclobutylamino)-4-[[3-(hydroxymethyl)cyclopentyl]amino]-5-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(NC2CCC2)nc(NC2CCC(CO)C2)c1-c1nccs1
InChIInChI=1S/C17H23N5O2S/c23-9-10-4-5-12(8-10)19-14-13(16-18-6-7-25-16)15(24)22-17(21-14)20-11-2-1-3-11/h6-7,10-12,23H,1-5,8-9H2,(H3,19,20,21,22,24)
InChIKeyVHGXXPTXPNNVFE-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.43
Rot. Bonds6

About 2-(cyclobutylamino)-4-[[3-(hydroxymethyl)cyclopentyl]amino]-5-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one

2-(cyclobutylamino)-4-[[3-(hydroxymethyl)cyclopentyl]amino]-5-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one (PubChem CID 137296172) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-(cyclobutylamino)-4-[[3-(hydroxymethyl)cyclopentyl]amino]-5-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(cyclobutylamino)-4-[[3-(hydroxymethyl)cyclopentyl]amino]-5-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
PubChem CID137296172
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name2-(cyclobutylamino)-4-[[3-(hydroxymethyl)cyclopentyl]amino]-5-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(NC2CCC2)nc(NC2CCC(CO)C2)c1-c1nccs1
InChIInChI=1S/C17H23N5O2S/c23-9-10-4-5-12(8-10)19-14-13(16-18-6-7-25-16)15(24)22-17(21-14)20-11-2-1-3-11/h6-7,10-12,23H,1-5,8-9H2,(H3,19,20,21,22,24)
InChIKeyVHGXXPTXPNNVFE-UHFFFAOYSA-N
XLogP2.43
TPSA102.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-(cyclobutylamino)-4-[[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]-5-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 136272374
2-(cyclobutylamino)-4-[[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]-5-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one;hydrochloride
CID 136984117
2-(cyclobutylamino)-4-[[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]-5-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 137155378

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylamino)-4-[[3-(hydroxymethyl)cyclopentyl]amino]-5-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(cyclobutylamino)-4-[[3-(hydroxymethyl)cyclopentyl]amino]-5-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one (CID 137296172) is 2-(cyclobutylamino)-4-[[3-(hydroxymethyl)cyclopentyl]amino]-5-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(cyclobutylamino)-4-[[3-(hydroxymethyl)cyclopentyl]amino]-5-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(cyclobutylamino)-4-[[3-(hydroxymethyl)cyclopentyl]amino]-5-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one is O=c1[nH]c(NC2CCC2)nc(NC2CCC(CO)C2)c1-c1nccs1.
What is the InChIKey of 2-(cyclobutylamino)-4-[[3-(hydroxymethyl)cyclopentyl]amino]-5-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
The InChIKey is VHGXXPTXPNNVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c23-9-10-4-5-12(8-10)19-14-13(16-18-6-7-25-16)15(24)22-17(21-14)20-11-2-1-3-11/h6-7,10-12,23H,1-5,8-9H2,(H3,19,20,21,22,24).
What are the key properties of 2-(cyclobutylamino)-4-[[3-(hydroxymethyl)cyclopentyl]amino]-5-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
2-(cyclobutylamino)-4-[[3-(hydroxymethyl)cyclopentyl]amino]-5-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one has a molecular weight of 361.47 g/mol, XLogP of 2.43, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylamino)-4-[[3-(hydroxymethyl)cyclopentyl]amino]-5-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137296172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).