6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-2-propylpyrimidin-4-amine

C15H19ClN4 — CID 82748226

IUPAC6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(NCc2ncccc2CC)n1
InChIInChI=1S/C15H19ClN4/c1-3-6-14-19-13(16)9-15(20-14)18-10-12-11(4-2)7-5-8-17-12/h5,7-9H,3-4,6,10H2,1-2H3,(H,18,19,20)
InChIKeyTWESOUWXVHWMFT-UHFFFAOYSA-N
MW290.80 g/mol
LogP3.65
Rot. Bonds6

About 6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-2-propylpyrimidin-4-amine

6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-2-propylpyrimidin-4-amine (PubChem CID 82748226) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-2-propylpyrimidin-4-amine
PubChem CID82748226
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(NCc2ncccc2CC)n1
InChIInChI=1S/C15H19ClN4/c1-3-6-14-19-13(16)9-15(20-14)18-10-12-11(4-2)7-5-8-17-12/h5,7-9H,3-4,6,10H2,1-2H3,(H,18,19,20)
InChIKeyTWESOUWXVHWMFT-UHFFFAOYSA-N
XLogP3.65
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-2-propylpyrimidin-4-amine (CID 82748226) is 6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-2-propylpyrimidin-4-amine is CCCc1nc(Cl)cc(NCc2ncccc2CC)n1.
What is the InChIKey of 6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-2-propylpyrimidin-4-amine?
The InChIKey is TWESOUWXVHWMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-3-6-14-19-13(16)9-15(20-14)18-10-12-11(4-2)7-5-8-17-12/h5,7-9H,3-4,6,10H2,1-2H3,(H,18,19,20).
What are the key properties of 6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-2-propylpyrimidin-4-amine?
6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-2-propylpyrimidin-4-amine has a molecular weight of 290.80 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-2-propylpyrimidin-4-amine is sourced from PubChem (CID 82748226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).