6-chloro-2-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine

C14H17ClN4 — CID 80953990

IUPAC6-chloro-2-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(NC(C)c2ccncc2)n1
InChIInChI=1S/C14H17ClN4/c1-9(2)14-18-12(15)8-13(19-14)17-10(3)11-4-6-16-7-5-11/h4-10H,1-3H3,(H,17,18,19)
InChIKeyJTRXDRKHALDWRM-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.82
Rot. Bonds4

About 6-chloro-2-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine

6-chloro-2-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine (PubChem CID 80953990) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 6-chloro-2-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine
PubChem CID80953990
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name6-chloro-2-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(NC(C)c2ccncc2)n1
InChIInChI=1S/C14H17ClN4/c1-9(2)14-18-12(15)8-13(19-14)17-10(3)11-4-6-16-7-5-11/h4-10H,1-3H3,(H,17,18,19)
InChIKeyJTRXDRKHALDWRM-UHFFFAOYSA-N
XLogP3.82
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine (CID 80953990) is 6-chloro-2-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine is CC(C)c1nc(Cl)cc(NC(C)c2ccncc2)n1.
What is the InChIKey of 6-chloro-2-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is JTRXDRKHALDWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-9(2)14-18-12(15)8-13(19-14)17-10(3)11-4-6-16-7-5-11/h4-10H,1-3H3,(H,17,18,19).
What are the key properties of 6-chloro-2-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine?
6-chloro-2-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine has a molecular weight of 276.77 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 80953990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).