2-(tert-butylamino)-4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]pyrimidine-5-carboxamide

C15H25N5O2 — CID 71237164

IUPAC2-(tert-butylamino)-4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]pyrimidine-5-carboxamide
SMILESCC(C)(C)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@H]2CO)n1
InChIInChI=1S/C15H25N5O2/c1-15(2,3)20-14-17-7-10(12(16)22)13(19-14)18-11-6-4-5-9(11)8-21/h7,9,11,21H,4-6,8H2,1-3H3,(H2,16,22)(H2,17,18,19,20)/t9-,11+/m0/s1
InChIKeyUCFNEDUVFNRJGA-GXSJLCMTSA-N
MW307.40 g/mol
LogP1.36
Rot. Bonds5

About 2-(tert-butylamino)-4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]pyrimidine-5-carboxamide

2-(tert-butylamino)-4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]pyrimidine-5-carboxamide (PubChem CID 71237164) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(tert-butylamino)-4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(tert-butylamino)-4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]pyrimidine-5-carboxamide
PubChem CID71237164
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name2-(tert-butylamino)-4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]pyrimidine-5-carboxamide
SMILESCC(C)(C)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@H]2CO)n1
InChIInChI=1S/C15H25N5O2/c1-15(2,3)20-14-17-7-10(12(16)22)13(19-14)18-11-6-4-5-9(11)8-21/h7,9,11,21H,4-6,8H2,1-3H3,(H2,16,22)(H2,17,18,19,20)/t9-,11+/m0/s1
InChIKeyUCFNEDUVFNRJGA-GXSJLCMTSA-N
XLogP1.36
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylsulfonylpyrimidine-5-carboxamide
CID 70981402
2-(tert-butylamino)-4-[[(3R,4R)-3-hydroxy-3,4-dimethylcyclohexyl]amino]pyrimidine-5-carboxamide
CID 134192870
2-(tert-butylamino)-4-[(3,3-dideuterio-5-hydroxy-4-methylcyclohexyl)amino]pyrimidine-5-carboxamide
CID 140838077
2-(tert-butylamino)-4-[[1,3,3,4,5-pentadeuterio-5-hydroxy-4-(trideuteriomethyl)cyclohexyl]amino]pyrimidine-5-carboxamide
CID 140838113
2-(tert-butylamino)-N'-hydroxy-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide
CID 167147037
4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237054
2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide
CID 71237540
2-(tert-butylamino)-4-[(3-hydroxycyclohexyl)amino]pyrimidine-5-carboximidamide
CID 167147075
2-[(4-hydroxycyclohexyl)amino]-4-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide
CID 71237270
5-fluoro-2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
CID 114178774
4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-(2-methylbutan-2-ylamino)pyrimidine-5-carboxamide
CID 71237447
[2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 106368316

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-(tert-butylamino)-4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]pyrimidine-5-carboxamide (CID 71237164) is 2-(tert-butylamino)-4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(tert-butylamino)-4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(tert-butylamino)-4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]pyrimidine-5-carboxamide is CC(C)(C)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@H]2CO)n1.
What is the InChIKey of 2-(tert-butylamino)-4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]pyrimidine-5-carboxamide?
The InChIKey is UCFNEDUVFNRJGA-GXSJLCMTSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-15(2,3)20-14-17-7-10(12(16)22)13(19-14)18-11-6-4-5-9(11)8-21/h7,9,11,21H,4-6,8H2,1-3H3,(H2,16,22)(H2,17,18,19,20)/t9-,11+/m0/s1.
What are the key properties of 2-(tert-butylamino)-4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]pyrimidine-5-carboxamide?
2-(tert-butylamino)-4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]pyrimidine-5-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 1.36, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 71237164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).