2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide

C19H23N9O — CID 71577713

IUPAC2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cncc(-n2cccn2)c1
InChIInChI=1S/C19H23N9O/c20-15-4-1-2-5-16(15)26-19-23-11-14(17(21)29)18(27-19)25-12-8-13(10-22-9-12)28-7-3-6-24-28/h3,6-11,15-16H,1-2,4-5,20H2,(H2,21,29)(H2,23,25,26,27)/t15-,16+/m0/s1
InChIKeyQXEBIOQMQIFOLG-JKSUJKDBSA-N
MW393.46 g/mol
LogP1.58
Rot. Bonds6

About 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide

2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide (PubChem CID 71577713) has the molecular formula C19H23N9O and a molecular weight of 393.46 g/mol. Its IUPAC name is 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide
PubChem CID71577713
Molecular FormulaC19H23N9O
Molecular Weight393.46 g/mol
Exact Mass393.20
IUPAC Name2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cncc(-n2cccn2)c1
InChIInChI=1S/C19H23N9O/c20-15-4-1-2-5-16(15)26-19-23-11-14(17(21)29)18(27-19)25-12-8-13(10-22-9-12)28-7-3-6-24-28/h3,6-11,15-16H,1-2,4-5,20H2,(H2,21,29)(H2,23,25,26,27)/t15-,16+/m0/s1
InChIKeyQXEBIOQMQIFOLG-JKSUJKDBSA-N
XLogP1.58
TPSA149.66 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 51.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide (CID 71577713) is 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide is NC(=O)c1cnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cncc(-n2cccn2)c1.
What is the InChIKey of 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide?
The InChIKey is QXEBIOQMQIFOLG-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H23N9O/c20-15-4-1-2-5-16(15)26-19-23-11-14(17(21)29)18(27-19)25-12-8-13(10-22-9-12)28-7-3-6-24-28/h3,6-11,15-16H,1-2,4-5,20H2,(H2,21,29)(H2,23,25,26,27)/t15-,16+/m0/s1.
What are the key properties of 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide?
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide has a molecular weight of 393.46 g/mol, XLogP of 1.58, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(5-pyrazol-1-yl-3-pyridinyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 71577713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).