2-[[(1S)-2-aminocyclohexyl]amino]-4-(1H-indazol-4-ylamino)pyrimidine-5-carboxamide

C18H22N8O — CID 67185316

IUPAC2-[[(1S)-2-aminocyclohexyl]amino]-4-(1H-indazol-4-ylamino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCCCC2N)nc1Nc1cccc2[nH]ncc12
InChIInChI=1S/C18H22N8O/c19-12-4-1-2-5-15(12)24-18-21-8-11(16(20)27)17(25-18)23-13-6-3-7-14-10(13)9-22-26-14/h3,6-9,12,15H,1-2,4-5,19H2,(H2,20,27)(H,22,26)(H2,21,23,24,25)/t12?,15-/m0/s1
InChIKeyRDNFLUQMHKXSRS-CVRLYYSRSA-N
MW366.43 g/mol
LogP1.88
Rot. Bonds5

About 2-[[(1S)-2-aminocyclohexyl]amino]-4-(1H-indazol-4-ylamino)pyrimidine-5-carboxamide

2-[[(1S)-2-aminocyclohexyl]amino]-4-(1H-indazol-4-ylamino)pyrimidine-5-carboxamide (PubChem CID 67185316) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-[[(1S)-2-aminocyclohexyl]amino]-4-(1H-indazol-4-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[(1S)-2-aminocyclohexyl]amino]-4-(1H-indazol-4-ylamino)pyrimidine-5-carboxamide
PubChem CID67185316
Molecular FormulaC18H22N8O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC Name2-[[(1S)-2-aminocyclohexyl]amino]-4-(1H-indazol-4-ylamino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(N[C@H]2CCCCC2N)nc1Nc1cccc2[nH]ncc12
InChIInChI=1S/C18H22N8O/c19-12-4-1-2-5-15(12)24-18-21-8-11(16(20)27)17(25-18)23-13-6-3-7-14-10(13)9-22-26-14/h3,6-9,12,15H,1-2,4-5,19H2,(H2,20,27)(H,22,26)(H2,21,23,24,25)/t12?,15-/m0/s1
InChIKeyRDNFLUQMHKXSRS-CVRLYYSRSA-N
XLogP1.88
TPSA147.63 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-aminoanilino)-2-[(2-aminocyclohexyl)amino]pyrimidine-5-carboxamide
CID 123987334
2-[(2-aminocyclopentyl)amino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 57472084
2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-4-(1H-indazol-4-ylamino)pyrimidine-5-carboxamide
CID 67002554
2-[(2-aminocyclohexyl)amino]-4-(4-pyridin-3-ylanilino)pyrimidine-5-carboxamide
CID 75165400
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(1,3-oxazol-4-yl)anilino]pyrimidine-5-carboxamide
CID 46184137
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(oxan-4-yl)anilino]pyrimidine-5-carboxamide
CID 57471964
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(1,3-benzodioxol-5-yl)anilino]pyrimidine-5-carboxamide
CID 57472051
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[(6-fluoronaphthalen-2-yl)amino]pyrimidine-5-carboxamide
CID 57472000
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-(tetrazol-1-yl)anilino]pyrimidine-5-carboxamide
CID 46184856
2-[(2-aminocyclohexyl)amino]-4-(dibenzofuran-3-ylamino)pyrimidine-5-carboxamide;methane
CID 143890446
[(Z)-3-amino-2-[3-[[2-[[(1R,2S)-2-aminocyclohexyl]amino]-5-carbamoylpyrimidin-4-yl]amino]phenyl]prop-2-enylidene]azanium
CID 143890623
2-[(2-aminocyclohexyl)amino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 76549139

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-2-aminocyclohexyl]amino]-4-(1H-indazol-4-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-[[(1S)-2-aminocyclohexyl]amino]-4-(1H-indazol-4-ylamino)pyrimidine-5-carboxamide (CID 67185316) is 2-[[(1S)-2-aminocyclohexyl]amino]-4-(1H-indazol-4-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[(1S)-2-aminocyclohexyl]amino]-4-(1H-indazol-4-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[[(1S)-2-aminocyclohexyl]amino]-4-(1H-indazol-4-ylamino)pyrimidine-5-carboxamide is NC(=O)c1cnc(N[C@H]2CCCCC2N)nc1Nc1cccc2[nH]ncc12.
What is the InChIKey of 2-[[(1S)-2-aminocyclohexyl]amino]-4-(1H-indazol-4-ylamino)pyrimidine-5-carboxamide?
The InChIKey is RDNFLUQMHKXSRS-CVRLYYSRSA-N. The full InChI is InChI=1S/C18H22N8O/c19-12-4-1-2-5-15(12)24-18-21-8-11(16(20)27)17(25-18)23-13-6-3-7-14-10(13)9-22-26-14/h3,6-9,12,15H,1-2,4-5,19H2,(H2,20,27)(H,22,26)(H2,21,23,24,25)/t12?,15-/m0/s1.
What are the key properties of 2-[[(1S)-2-aminocyclohexyl]amino]-4-(1H-indazol-4-ylamino)pyrimidine-5-carboxamide?
2-[[(1S)-2-aminocyclohexyl]amino]-4-(1H-indazol-4-ylamino)pyrimidine-5-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 1.88, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-2-aminocyclohexyl]amino]-4-(1H-indazol-4-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 67185316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).