5-chloro-2-(5-chloro-2-pyridinyl)-N-(2,4-diphenylbutyl)-6-methylpyrimidin-4-amine

C26H24Cl2N4 — CID 71602696

IUPAC5-chloro-2-(5-chloro-2-pyridinyl)-N-(2,4-diphenylbutyl)-6-methylpyrimidin-4-amine
SMILESCc1nc(-c2ccc(Cl)cn2)nc(NCC(CCc2ccccc2)c2ccccc2)c1Cl
InChIInChI=1S/C26H24Cl2N4/c1-18-24(28)26(32-25(31-18)23-15-14-22(27)17-29-23)30-16-21(20-10-6-3-7-11-20)13-12-19-8-4-2-5-9-19/h2-11,14-15,17,21H,12-13,16H2,1H3,(H,30,31,32)
InChIKeyBIYGKGWPQHRVJY-UHFFFAOYSA-N
MW463.41 g/mol
LogP6.98
Rot. Bonds8

About 5-chloro-2-(5-chloro-2-pyridinyl)-N-(2,4-diphenylbutyl)-6-methylpyrimidin-4-amine

5-chloro-2-(5-chloro-2-pyridinyl)-N-(2,4-diphenylbutyl)-6-methylpyrimidin-4-amine (PubChem CID 71602696) has the molecular formula C26H24Cl2N4 and a molecular weight of 463.41 g/mol. Its IUPAC name is 5-chloro-2-(5-chloro-2-pyridinyl)-N-(2,4-diphenylbutyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-(5-chloro-2-pyridinyl)-N-(2,4-diphenylbutyl)-6-methylpyrimidin-4-amine
PubChem CID71602696
Molecular FormulaC26H24Cl2N4
Molecular Weight463.41 g/mol
Exact Mass462.14
IUPAC Name5-chloro-2-(5-chloro-2-pyridinyl)-N-(2,4-diphenylbutyl)-6-methylpyrimidin-4-amine
SMILESCc1nc(-c2ccc(Cl)cn2)nc(NCC(CCc2ccccc2)c2ccccc2)c1Cl
InChIInChI=1S/C26H24Cl2N4/c1-18-24(28)26(32-25(31-18)23-15-14-22(27)17-29-23)30-16-21(20-10-6-3-7-11-20)13-12-19-8-4-2-5-9-19/h2-11,14-15,17,21H,12-13,16H2,1H3,(H,30,31,32)
InChIKeyBIYGKGWPQHRVJY-UHFFFAOYSA-N
XLogP6.98
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.41
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(5-chloro-2-pyridinyl)-N-(2,4-diphenylbutyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 5-chloro-2-(5-chloro-2-pyridinyl)-N-(2,4-diphenylbutyl)-6-methylpyrimidin-4-amine (CID 71602696) is 5-chloro-2-(5-chloro-2-pyridinyl)-N-(2,4-diphenylbutyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-(5-chloro-2-pyridinyl)-N-(2,4-diphenylbutyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-(5-chloro-2-pyridinyl)-N-(2,4-diphenylbutyl)-6-methylpyrimidin-4-amine is Cc1nc(-c2ccc(Cl)cn2)nc(NCC(CCc2ccccc2)c2ccccc2)c1Cl.
What is the InChIKey of 5-chloro-2-(5-chloro-2-pyridinyl)-N-(2,4-diphenylbutyl)-6-methylpyrimidin-4-amine?
The InChIKey is BIYGKGWPQHRVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N4/c1-18-24(28)26(32-25(31-18)23-15-14-22(27)17-29-23)30-16-21(20-10-6-3-7-11-20)13-12-19-8-4-2-5-9-19/h2-11,14-15,17,21H,12-13,16H2,1H3,(H,30,31,32).
What are the key properties of 5-chloro-2-(5-chloro-2-pyridinyl)-N-(2,4-diphenylbutyl)-6-methylpyrimidin-4-amine?
5-chloro-2-(5-chloro-2-pyridinyl)-N-(2,4-diphenylbutyl)-6-methylpyrimidin-4-amine has a molecular weight of 463.41 g/mol, XLogP of 6.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(5-chloro-2-pyridinyl)-N-(2,4-diphenylbutyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 71602696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).