6-chloro-N,N-diethyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine

C14H17ClN4 — CID 15766444

IUPAC6-chloro-N,N-diethyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine
SMILESCCN(CC)c1cc(Cl)nc(-c2cccc(C)n2)n1
InChIInChI=1S/C14H17ClN4/c1-4-19(5-2)13-9-12(15)17-14(18-13)11-8-6-7-10(3)16-11/h6-9H,4-5H2,1-3H3
InChIKeySZVXMCSMFXLEFP-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.35
Rot. Bonds4

About 6-chloro-N,N-diethyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine

6-chloro-N,N-diethyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine (PubChem CID 15766444) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 6-chloro-N,N-diethyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,N-diethyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine
PubChem CID15766444
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name6-chloro-N,N-diethyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine
SMILESCCN(CC)c1cc(Cl)nc(-c2cccc(C)n2)n1
InChIInChI=1S/C14H17ClN4/c1-4-19(5-2)13-9-12(15)17-14(18-13)11-8-6-7-10(3)16-11/h6-9H,4-5H2,1-3H3
InChIKeySZVXMCSMFXLEFP-UHFFFAOYSA-N
XLogP3.35
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-diethyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N,N-diethyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine (CID 15766444) is 6-chloro-N,N-diethyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,N-diethyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,N-diethyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine is CCN(CC)c1cc(Cl)nc(-c2cccc(C)n2)n1.
What is the InChIKey of 6-chloro-N,N-diethyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine?
The InChIKey is SZVXMCSMFXLEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-4-19(5-2)13-9-12(15)17-14(18-13)11-8-6-7-10(3)16-11/h6-9H,4-5H2,1-3H3.
What are the key properties of 6-chloro-N,N-diethyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine?
6-chloro-N,N-diethyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine has a molecular weight of 276.77 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-diethyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 15766444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).