6-chloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine

C16H21ClN4 — CID 80947381

IUPAC6-chloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCCN(Cc1cccc(C)n1)c1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C16H21ClN4/c1-5-21(10-13-8-6-7-12(4)18-13)15-9-14(17)19-16(20-15)11(2)3/h6-9,11H,5,10H2,1-4H3
InChIKeyCCQFWDPMPBPFEX-UHFFFAOYSA-N
MW304.83 g/mol
LogP3.98
Rot. Bonds5

About 6-chloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine

6-chloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80947381) has the molecular formula C16H21ClN4 and a molecular weight of 304.83 g/mol. Its IUPAC name is 6-chloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine
PubChem CID80947381
Molecular FormulaC16H21ClN4
Molecular Weight304.83 g/mol
Exact Mass304.15
IUPAC Name6-chloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCCN(Cc1cccc(C)n1)c1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C16H21ClN4/c1-5-21(10-13-8-6-7-12(4)18-13)15-9-14(17)19-16(20-15)11(2)3/h6-9,11H,5,10H2,1-4H3
InChIKeyCCQFWDPMPBPFEX-UHFFFAOYSA-N
XLogP3.98
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.83
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine (CID 80947381) is 6-chloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine is CCN(Cc1cccc(C)n1)c1cc(Cl)nc(C(C)C)n1.
What is the InChIKey of 6-chloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is CCQFWDPMPBPFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c1-5-21(10-13-8-6-7-12(4)18-13)15-9-14(17)19-16(20-15)11(2)3/h6-9,11H,5,10H2,1-4H3.
What are the key properties of 6-chloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 304.83 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80947381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).