2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide

C15H22N8O — CID 57471978

IUPAC2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCn1cc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)cn1
InChIInChI=1S/C15H22N8O/c1-23-8-9(6-19-23)20-14-10(13(17)24)7-18-15(22-14)21-12-5-3-2-4-11(12)16/h6-8,11-12H,2-5,16H2,1H3,(H2,17,24)(H2,18,20,21,22)/t11-,12+/m0/s1
InChIKeyOOIPJAPXTXTRSU-NWDGAFQWSA-N
MW330.40 g/mol
LogP0.73
Rot. Bonds5

About 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide

2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide (PubChem CID 57471978) has the molecular formula C15H22N8O and a molecular weight of 330.40 g/mol. Its IUPAC name is 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
PubChem CID57471978
Molecular FormulaC15H22N8O
Molecular Weight330.40 g/mol
Exact Mass330.19
IUPAC Name2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCn1cc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)cn1
InChIInChI=1S/C15H22N8O/c1-23-8-9(6-19-23)20-14-10(13(17)24)7-18-15(22-14)21-12-5-3-2-4-11(12)16/h6-8,11-12H,2-5,16H2,1H3,(H2,17,24)(H2,18,20,21,22)/t11-,12+/m0/s1
InChIKeyOOIPJAPXTXTRSU-NWDGAFQWSA-N
XLogP0.73
TPSA136.77 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 50.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide with MolForge

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Related Compounds

5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181627
US11344549, Example 233
CID 148869096
US11344549, Example 235
CID 149003214
US11344549, Example 18
CID 165112231
US11344549, Example 19
CID 165112232
US11344549, Example 29
CID 165112242
US11344549, Example 30
CID 165112243
US10329294, Example 3
CID 122516664
US11344549, Example 244
CID 138495176
US11344549, Example 8
CID 138495182
US11344549, Example 230
CID 138495187
US11344549, Example 248
CID 138495189

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide (CID 57471978) is 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide is Cn1cc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)cn1.
What is the InChIKey of 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is OOIPJAPXTXTRSU-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H22N8O/c1-23-8-9(6-19-23)20-14-10(13(17)24)7-18-15(22-14)21-12-5-3-2-4-11(12)16/h6-8,11-12H,2-5,16H2,1H3,(H2,17,24)(H2,18,20,21,22)/t11-,12+/m0/s1.
What are the key properties of 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 330.40 g/mol, XLogP of 0.73, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 57471978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).