[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid

C14H23N5O2 — CID 141129518

IUPAC[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid
SMILESCc1cnc(N(C)C)nc1NC1CCC(NC(=O)O)CC1
InChIInChI=1S/C14H23N5O2/c1-9-8-15-13(19(2)3)18-12(9)16-10-4-6-11(7-5-10)17-14(20)21/h8,10-11,17H,4-7H2,1-3H3,(H,20,21)(H,15,16,18)
InChIKeyAVTXPYQOLIHEFN-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.84
Rot. Bonds4

About [4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid

[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid (PubChem CID 141129518) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is [4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid
PubChem CID141129518
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid
SMILESCc1cnc(N(C)C)nc1NC1CCC(NC(=O)O)CC1
InChIInChI=1S/C14H23N5O2/c1-9-8-15-13(19(2)3)18-12(9)16-10-4-6-11(7-5-10)17-14(20)21/h8,10-11,17H,4-7H2,1-3H3,(H,20,21)(H,15,16,18)
InChIKeyAVTXPYQOLIHEFN-UHFFFAOYSA-N
XLogP1.84
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid with MolForge

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Related Compounds

N~3~-(2-amino-5-ethylpyrimidin-4-yl)-N~1~-cyclohexyl-beta-alaninamide
CID 72865900
1-[(4-Aminopyrimidin-5-yl)methyl]-3-butylurea
CID 71907564
1-[(4-Aminopyrimidin-5-yl)methyl]-3-tert-butylurea
CID 75391992
Ethyl 4-[(2-tert-butylpyrimidin-5-yl)methylamino]piperidine-1-carboxylate
CID 121554595
(2S,5S)-5-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylic acid
CID 67957809
cis-[4-(4-Dimethylamino-5-trifluoromethyl-pyrimidin-2-ylamino)-cyclohexyl]-carbamic acid tert-butyl ester
CID 69787557
2-chloro-N-cyclopentyl-5-(trifluoromethyl)pyrimidin-4-amine;propan-2-ylcarbamic acid
CID 87128946
[4-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]carbamic acid
CID 87661115
[(1R,3S)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]iminomethylcarbamic acid
CID 117598765
[(1S,2S)-2-[(2-chloro-5-cyanopyrimidin-4-yl)amino]-3,3-difluorocyclohexyl]carbamic acid
CID 117666385
[(1R,3S)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]carbamic acid
CID 118871803
[3-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]carbamic acid
CID 118871813

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid?
The IUPAC name of [4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid (CID 141129518) is [4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid is Cc1cnc(N(C)C)nc1NC1CCC(NC(=O)O)CC1.
What is the InChIKey of [4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid?
The InChIKey is AVTXPYQOLIHEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-9-8-15-13(19(2)3)18-12(9)16-10-4-6-11(7-5-10)17-14(20)21/h8,10-11,17H,4-7H2,1-3H3,(H,20,21)(H,15,16,18).
What are the key properties of [4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid?
[4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid has a molecular weight of 293.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid is sourced from PubChem (CID 141129518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).