6-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-propylpyrimidin-4-amine

C15H16Cl2N4 — CID 79784106

IUPAC6-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C2CC2)nc(-c2ncc(Cl)cc2Cl)n1
InChIInChI=1S/C15H16Cl2N4/c1-2-5-18-13-7-12(9-3-4-9)20-15(21-13)14-11(17)6-10(16)8-19-14/h6-9H,2-5H2,1H3,(H,18,20,21)
InChIKeyHROYVAWFSAWNHS-UHFFFAOYSA-N
MW323.23 g/mol
LogP4.54
Rot. Bonds5

About 6-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-propylpyrimidin-4-amine

6-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-propylpyrimidin-4-amine (PubChem CID 79784106) has the molecular formula C15H16Cl2N4 and a molecular weight of 323.23 g/mol. Its IUPAC name is 6-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-propylpyrimidin-4-amine
PubChem CID79784106
Molecular FormulaC15H16Cl2N4
Molecular Weight323.23 g/mol
Exact Mass322.08
IUPAC Name6-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C2CC2)nc(-c2ncc(Cl)cc2Cl)n1
InChIInChI=1S/C15H16Cl2N4/c1-2-5-18-13-7-12(9-3-4-9)20-15(21-13)14-11(17)6-10(16)8-19-14/h6-9H,2-5H2,1H3,(H,18,20,21)
InChIKeyHROYVAWFSAWNHS-UHFFFAOYSA-N
XLogP4.54
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-propylpyrimidin-4-amine (CID 79784106) is 6-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-propylpyrimidin-4-amine is CCCNc1cc(C2CC2)nc(-c2ncc(Cl)cc2Cl)n1.
What is the InChIKey of 6-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-propylpyrimidin-4-amine?
The InChIKey is HROYVAWFSAWNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4/c1-2-5-18-13-7-12(9-3-4-9)20-15(21-13)14-11(17)6-10(16)8-19-14/h6-9H,2-5H2,1H3,(H,18,20,21).
What are the key properties of 6-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-propylpyrimidin-4-amine?
6-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-propylpyrimidin-4-amine has a molecular weight of 323.23 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 79784106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).