4-N-(4-chlorophenyl)-2-N-ethyl-2-N-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine

C20H28ClN5 — CID 44530838

IUPAC4-N-(4-chlorophenyl)-2-N-ethyl-2-N-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
SMILESCCN(CCCN1CCCCC1)c1nccc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H28ClN5/c1-2-26(16-6-15-25-13-4-3-5-14-25)20-22-12-11-19(24-20)23-18-9-7-17(21)8-10-18/h7-12H,2-6,13-16H2,1H3,(H,22,23,24)
InChIKeyBZXHTQTZQKLCJK-UHFFFAOYSA-N
MW373.93 g/mol
LogP4.58
Rot. Bonds8

About 4-N-(4-chlorophenyl)-2-N-ethyl-2-N-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine

4-N-(4-chlorophenyl)-2-N-ethyl-2-N-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine (PubChem CID 44530838) has the molecular formula C20H28ClN5 and a molecular weight of 373.93 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-2-N-ethyl-2-N-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-2-N-ethyl-2-N-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
PubChem CID44530838
Molecular FormulaC20H28ClN5
Molecular Weight373.93 g/mol
Exact Mass373.20
IUPAC Name4-N-(4-chlorophenyl)-2-N-ethyl-2-N-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
SMILESCCN(CCCN1CCCCC1)c1nccc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H28ClN5/c1-2-26(16-6-15-25-13-4-3-5-14-25)20-22-12-11-19(24-20)23-18-9-7-17(21)8-10-18/h7-12H,2-6,13-16H2,1H3,(H,22,23,24)
InChIKeyBZXHTQTZQKLCJK-UHFFFAOYSA-N
XLogP4.58
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.93
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-2-N-ethyl-2-N-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-chlorophenyl)-2-N-ethyl-2-N-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine (CID 44530838) is 4-N-(4-chlorophenyl)-2-N-ethyl-2-N-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-chlorophenyl)-2-N-ethyl-2-N-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-chlorophenyl)-2-N-ethyl-2-N-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine is CCN(CCCN1CCCCC1)c1nccc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-N-(4-chlorophenyl)-2-N-ethyl-2-N-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine?
The InChIKey is BZXHTQTZQKLCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN5/c1-2-26(16-6-15-25-13-4-3-5-14-25)20-22-12-11-19(24-20)23-18-9-7-17(21)8-10-18/h7-12H,2-6,13-16H2,1H3,(H,22,23,24).
What are the key properties of 4-N-(4-chlorophenyl)-2-N-ethyl-2-N-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine?
4-N-(4-chlorophenyl)-2-N-ethyl-2-N-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine has a molecular weight of 373.93 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-2-N-ethyl-2-N-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 44530838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).