[3-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxycyclohexyl]carbamic acid

C15H19ClN6O3 — CID 121482338

IUPAC[3-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxycyclohexyl]carbamic acid
SMILESCn1cc(Nc2ncc(Cl)c(OC3CCCC(NC(=O)O)C3)n2)cn1
InChIInChI=1S/C15H19ClN6O3/c1-22-8-10(6-18-22)19-14-17-7-12(16)13(21-14)25-11-4-2-3-9(5-11)20-15(23)24/h6-9,11,20H,2-5H2,1H3,(H,23,24)(H,17,19,21)
InChIKeyGQYHPFUSCPLTPC-UHFFFAOYSA-N
MW366.81 g/mol
LogP2.56
Rot. Bonds5

About [3-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxycyclohexyl]carbamic acid

[3-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxycyclohexyl]carbamic acid (PubChem CID 121482338) has the molecular formula C15H19ClN6O3 and a molecular weight of 366.81 g/mol. Its IUPAC name is [3-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxycyclohexyl]carbamic acid.

Molecular Properties

Compound Name[3-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxycyclohexyl]carbamic acid
PubChem CID121482338
Molecular FormulaC15H19ClN6O3
Molecular Weight366.81 g/mol
Exact Mass366.12
IUPAC Name[3-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxycyclohexyl]carbamic acid
SMILESCn1cc(Nc2ncc(Cl)c(OC3CCCC(NC(=O)O)C3)n2)cn1
InChIInChI=1S/C15H19ClN6O3/c1-22-8-10(6-18-22)19-14-17-7-12(16)13(21-14)25-11-4-2-3-9(5-11)20-15(23)24/h6-9,11,20H,2-5H2,1H3,(H,23,24)(H,17,19,21)
InChIKeyGQYHPFUSCPLTPC-UHFFFAOYSA-N
XLogP2.56
TPSA114.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxycyclohexyl]carbamic acid?
The IUPAC name of [3-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxycyclohexyl]carbamic acid (CID 121482338) is [3-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxycyclohexyl]carbamic acid.
What is the SMILES notation for [3-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxycyclohexyl]carbamic acid?
The canonical SMILES for [3-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxycyclohexyl]carbamic acid is Cn1cc(Nc2ncc(Cl)c(OC3CCCC(NC(=O)O)C3)n2)cn1.
What is the InChIKey of [3-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxycyclohexyl]carbamic acid?
The InChIKey is GQYHPFUSCPLTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6O3/c1-22-8-10(6-18-22)19-14-17-7-12(16)13(21-14)25-11-4-2-3-9(5-11)20-15(23)24/h6-9,11,20H,2-5H2,1H3,(H,23,24)(H,17,19,21).
What are the key properties of [3-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxycyclohexyl]carbamic acid?
[3-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxycyclohexyl]carbamic acid has a molecular weight of 366.81 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxycyclohexyl]carbamic acid is sourced from PubChem (CID 121482338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).