4-anilino-2-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide

C17H21N5O2 — CID 123646313

IUPAC4-anilino-2-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CCCCC2O)nc1Nc1ccccc1
InChIInChI=1S/C17H21N5O2/c18-15(24)12-10-19-17(21-13-8-4-5-9-14(13)23)22-16(12)20-11-6-2-1-3-7-11/h1-3,6-7,10,13-14,23H,4-5,8-9H2,(H2,18,24)(H2,19,20,21,22)
InChIKeyLAZDMTMTGXWECM-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.03
Rot. Bonds5

About 4-anilino-2-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide

4-anilino-2-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide (PubChem CID 123646313) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-anilino-2-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-anilino-2-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
PubChem CID123646313
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name4-anilino-2-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(NC2CCCCC2O)nc1Nc1ccccc1
InChIInChI=1S/C17H21N5O2/c18-15(24)12-10-19-17(21-13-8-4-5-9-14(13)23)22-16(12)20-11-6-2-1-3-7-11/h1-3,6-7,10,13-14,23H,4-5,8-9H2,(H2,18,24)(H2,19,20,21,22)
InChIKeyLAZDMTMTGXWECM-UHFFFAOYSA-N
XLogP2.03
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-aminoanilino)-2-[(2-aminocyclohexyl)amino]pyrimidine-5-carboxamide
CID 123987334
2-[(4-aminocyclohexyl)amino]-4-anilinopyrimidine-5-carboxamide
CID 66576399
2-[(2-aminocyclohexyl)amino]-4-(4-pyridin-3-ylanilino)pyrimidine-5-carboxamide
CID 75165400
2-[(2-aminocyclopentyl)amino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 57472084
2-[[(1R,2S)-2-methylcyclohexyl]amino]-4-(3-pyrimidin-2-ylanilino)pyrimidine-5-carboxamide
CID 143890414
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-(tetrazol-1-yl)anilino]pyrimidine-5-carboxamide
CID 46184856
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-(oxan-4-yl)anilino]pyrimidine-5-carboxamide
CID 57471966
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-(3,5-dimethylpyrazol-1-yl)anilino]pyrimidine-5-carboxamide
CID 46184610
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(oxan-4-yl)anilino]pyrimidine-5-carboxamide
CID 57471964
4-[(4-anilino-5-carbamoylpyrimidin-2-yl)amino]benzoic acid
CID 143285070
[(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-(dibenzofuran-3-ylamino)pyrimidine-5-carboxamide;methane
CID 143890446

Frequently Asked Questions

What is the IUPAC name of 4-anilino-2-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-anilino-2-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide (CID 123646313) is 4-anilino-2-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-anilino-2-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-anilino-2-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide is NC(=O)c1cnc(NC2CCCCC2O)nc1Nc1ccccc1.
What is the InChIKey of 4-anilino-2-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
The InChIKey is LAZDMTMTGXWECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c18-15(24)12-10-19-17(21-13-8-4-5-9-14(13)23)22-16(12)20-11-6-2-1-3-7-11/h1-3,6-7,10,13-14,23H,4-5,8-9H2,(H2,18,24)(H2,19,20,21,22).
What are the key properties of 4-anilino-2-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
4-anilino-2-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 2.03, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2-[(2-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 123646313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).