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

C12H17ClN4O2 — CID 141129534

IUPAC[4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexyl]carbamic acid
SMILESCc1cnc(Cl)nc1NC1CCC(NC(=O)O)CC1
InChIInChI=1S/C12H17ClN4O2/c1-7-6-14-11(13)17-10(7)15-8-2-4-9(5-3-8)16-12(18)19/h6,8-9,16H,2-5H2,1H3,(H,18,19)(H,14,15,17)
InChIKeyOUMOBNGHHQKMJL-UHFFFAOYSA-N
MW284.75 g/mol
LogP2.43
Rot. Bonds3

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

[4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexyl]carbamic acid (PubChem CID 141129534) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is [4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexyl]carbamic acid
PubChem CID141129534
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name[4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexyl]carbamic acid
SMILESCc1cnc(Cl)nc1NC1CCC(NC(=O)O)CC1
InChIInChI=1S/C12H17ClN4O2/c1-7-6-14-11(13)17-10(7)15-8-2-4-9(5-3-8)16-12(18)19/h6,8-9,16H,2-5H2,1H3,(H,18,19)(H,14,15,17)
InChIKeyOUMOBNGHHQKMJL-UHFFFAOYSA-N
XLogP2.43
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexyl]carbamic acid?
The IUPAC name of [4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexyl]carbamic acid (CID 141129534) is [4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexyl]carbamic acid is Cc1cnc(Cl)nc1NC1CCC(NC(=O)O)CC1.
What is the InChIKey of [4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexyl]carbamic acid?
The InChIKey is OUMOBNGHHQKMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c1-7-6-14-11(13)17-10(7)15-8-2-4-9(5-3-8)16-12(18)19/h6,8-9,16H,2-5H2,1H3,(H,18,19)(H,14,15,17).
What are the key properties of [4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexyl]carbamic acid?
[4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexyl]carbamic acid has a molecular weight of 284.75 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexyl]carbamic acid is sourced from PubChem (CID 141129534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).