[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid

C14H23N5O2 — CID 68977621

IUPAC[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid
SMILESCc1nc(NC2CCC(NC(=O)O)CC2)cc(N(C)C)n1
InChIInChI=1S/C14H23N5O2/c1-9-15-12(8-13(16-9)19(2)3)17-10-4-6-11(7-5-10)18-14(20)21/h8,10-11,18H,4-7H2,1-3H3,(H,20,21)(H,15,16,17)
InChIKeyLTADSTIHQQWDNS-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.84
Rot. Bonds4

About [4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid

[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid (PubChem CID 68977621) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is [4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid
PubChem CID68977621
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid
SMILESCc1nc(NC2CCC(NC(=O)O)CC2)cc(N(C)C)n1
InChIInChI=1S/C14H23N5O2/c1-9-15-12(8-13(16-9)19(2)3)17-10-4-6-11(7-5-10)18-14(20)21/h8,10-11,18H,4-7H2,1-3H3,(H,20,21)(H,15,16,17)
InChIKeyLTADSTIHQQWDNS-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

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Frequently Asked Questions

What is the IUPAC name of [4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid?
The IUPAC name of [4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid (CID 68977621) is [4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid is Cc1nc(NC2CCC(NC(=O)O)CC2)cc(N(C)C)n1.
What is the InChIKey of [4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid?
The InChIKey is LTADSTIHQQWDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-9-15-12(8-13(16-9)19(2)3)17-10-4-6-11(7-5-10)18-14(20)21/h8,10-11,18H,4-7H2,1-3H3,(H,20,21)(H,15,16,17).
What are the key properties of [4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid?
[4-[[6-(dimethylamino)-2-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-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid is sourced from PubChem (CID 68977621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).