[4-[[4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]carbamic acid

C12H19N5O2 — CID 23027803

IUPAC[4-[[4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]carbamic acid
SMILESCNc1ccnc(NC2CCC(NC(=O)O)CC2)n1
InChIInChI=1S/C12H19N5O2/c1-13-10-6-7-14-11(17-10)15-8-2-4-9(5-3-8)16-12(18)19/h6-9,16H,2-5H2,1H3,(H,18,19)(H2,13,14,15,17)
InChIKeyWYCODHKGZWBPJW-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.51
Rot. Bonds4

About [4-[[4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]carbamic acid

[4-[[4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]carbamic acid (PubChem CID 23027803) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is [4-[[4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[[4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]carbamic acid
PubChem CID23027803
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name[4-[[4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]carbamic acid
SMILESCNc1ccnc(NC2CCC(NC(=O)O)CC2)n1
InChIInChI=1S/C12H19N5O2/c1-13-10-6-7-14-11(17-10)15-8-2-4-9(5-3-8)16-12(18)19/h6-9,16H,2-5H2,1H3,(H,18,19)(H2,13,14,15,17)
InChIKeyWYCODHKGZWBPJW-UHFFFAOYSA-N
XLogP1.51
TPSA99.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]carbamic acid?
The IUPAC name of [4-[[4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]carbamic acid (CID 23027803) is [4-[[4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[[4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[[4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]carbamic acid is CNc1ccnc(NC2CCC(NC(=O)O)CC2)n1.
What is the InChIKey of [4-[[4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]carbamic acid?
The InChIKey is WYCODHKGZWBPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-13-10-6-7-14-11(17-10)15-8-2-4-9(5-3-8)16-12(18)19/h6-9,16H,2-5H2,1H3,(H,18,19)(H2,13,14,15,17).
What are the key properties of [4-[[4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]carbamic acid?
[4-[[4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]carbamic acid has a molecular weight of 265.32 g/mol, XLogP of 1.51, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(methylamino)pyrimidin-2-yl]amino]cyclohexyl]carbamic acid is sourced from PubChem (CID 23027803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).