[4-[[4-(dimethylamino)-5,6-dimethylpyrimidin-2-yl]amino]cyclohexyl]carbamic acid

C15H25N5O2 — CID 23027177

IUPAC[4-[[4-(dimethylamino)-5,6-dimethylpyrimidin-2-yl]amino]cyclohexyl]carbamic acid
SMILESCc1nc(NC2CCC(NC(=O)O)CC2)nc(N(C)C)c1C
InChIInChI=1S/C15H25N5O2/c1-9-10(2)16-14(19-13(9)20(3)4)17-11-5-7-12(8-6-11)18-15(21)22/h11-12,18H,5-8H2,1-4H3,(H,21,22)(H,16,17,19)
InChIKeyNQXUPJAODSPXEN-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.15
Rot. Bonds4

About [4-[[4-(dimethylamino)-5,6-dimethylpyrimidin-2-yl]amino]cyclohexyl]carbamic acid

[4-[[4-(dimethylamino)-5,6-dimethylpyrimidin-2-yl]amino]cyclohexyl]carbamic acid (PubChem CID 23027177) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is [4-[[4-(dimethylamino)-5,6-dimethylpyrimidin-2-yl]amino]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[[4-(dimethylamino)-5,6-dimethylpyrimidin-2-yl]amino]cyclohexyl]carbamic acid
PubChem CID23027177
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name[4-[[4-(dimethylamino)-5,6-dimethylpyrimidin-2-yl]amino]cyclohexyl]carbamic acid
SMILESCc1nc(NC2CCC(NC(=O)O)CC2)nc(N(C)C)c1C
InChIInChI=1S/C15H25N5O2/c1-9-10(2)16-14(19-13(9)20(3)4)17-11-5-7-12(8-6-11)18-15(21)22/h11-12,18H,5-8H2,1-4H3,(H,21,22)(H,16,17,19)
InChIKeyNQXUPJAODSPXEN-UHFFFAOYSA-N
XLogP2.15
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-(dimethylamino)-5,6-dimethylpyrimidin-2-yl]amino]cyclohexyl]carbamic acid?
The IUPAC name of [4-[[4-(dimethylamino)-5,6-dimethylpyrimidin-2-yl]amino]cyclohexyl]carbamic acid (CID 23027177) is [4-[[4-(dimethylamino)-5,6-dimethylpyrimidin-2-yl]amino]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[[4-(dimethylamino)-5,6-dimethylpyrimidin-2-yl]amino]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[[4-(dimethylamino)-5,6-dimethylpyrimidin-2-yl]amino]cyclohexyl]carbamic acid is Cc1nc(NC2CCC(NC(=O)O)CC2)nc(N(C)C)c1C.
What is the InChIKey of [4-[[4-(dimethylamino)-5,6-dimethylpyrimidin-2-yl]amino]cyclohexyl]carbamic acid?
The InChIKey is NQXUPJAODSPXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-9-10(2)16-14(19-13(9)20(3)4)17-11-5-7-12(8-6-11)18-15(21)22/h11-12,18H,5-8H2,1-4H3,(H,21,22)(H,16,17,19).
What are the key properties of [4-[[4-(dimethylamino)-5,6-dimethylpyrimidin-2-yl]amino]cyclohexyl]carbamic acid?
[4-[[4-(dimethylamino)-5,6-dimethylpyrimidin-2-yl]amino]cyclohexyl]carbamic acid has a molecular weight of 307.40 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(dimethylamino)-5,6-dimethylpyrimidin-2-yl]amino]cyclohexyl]carbamic acid is sourced from PubChem (CID 23027177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).