2-chloro-6-phenyl-N-(1-pyrrolidin-1-ylpropyl)pyrimidin-4-amine

C17H21ClN4 — CID 91357808

IUPAC2-chloro-6-phenyl-N-(1-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
SMILESCCC(Nc1cc(-c2ccccc2)nc(Cl)n1)N1CCCC1
InChIInChI=1S/C17H21ClN4/c1-2-16(22-10-6-7-11-22)20-15-12-14(19-17(18)21-15)13-8-4-3-5-9-13/h3-5,8-9,12,16H,2,6-7,10-11H2,1H3,(H,19,20,21)
InChIKeyNTPVQKRBKISJPV-UHFFFAOYSA-N
MW316.84 g/mol
LogP4.04
Rot. Bonds5

About 2-chloro-6-phenyl-N-(1-pyrrolidin-1-ylpropyl)pyrimidin-4-amine

2-chloro-6-phenyl-N-(1-pyrrolidin-1-ylpropyl)pyrimidin-4-amine (PubChem CID 91357808) has the molecular formula C17H21ClN4 and a molecular weight of 316.84 g/mol. Its IUPAC name is 2-chloro-6-phenyl-N-(1-pyrrolidin-1-ylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-phenyl-N-(1-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
PubChem CID91357808
Molecular FormulaC17H21ClN4
Molecular Weight316.84 g/mol
Exact Mass316.15
IUPAC Name2-chloro-6-phenyl-N-(1-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
SMILESCCC(Nc1cc(-c2ccccc2)nc(Cl)n1)N1CCCC1
InChIInChI=1S/C17H21ClN4/c1-2-16(22-10-6-7-11-22)20-15-12-14(19-17(18)21-15)13-8-4-3-5-9-13/h3-5,8-9,12,16H,2,6-7,10-11H2,1H3,(H,19,20,21)
InChIKeyNTPVQKRBKISJPV-UHFFFAOYSA-N
XLogP4.04
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-phenyl-N-(1-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-phenyl-N-(1-pyrrolidin-1-ylpropyl)pyrimidin-4-amine (CID 91357808) is 2-chloro-6-phenyl-N-(1-pyrrolidin-1-ylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-phenyl-N-(1-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-phenyl-N-(1-pyrrolidin-1-ylpropyl)pyrimidin-4-amine is CCC(Nc1cc(-c2ccccc2)nc(Cl)n1)N1CCCC1.
What is the InChIKey of 2-chloro-6-phenyl-N-(1-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
The InChIKey is NTPVQKRBKISJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4/c1-2-16(22-10-6-7-11-22)20-15-12-14(19-17(18)21-15)13-8-4-3-5-9-13/h3-5,8-9,12,16H,2,6-7,10-11H2,1H3,(H,19,20,21).
What are the key properties of 2-chloro-6-phenyl-N-(1-pyrrolidin-1-ylpropyl)pyrimidin-4-amine?
2-chloro-6-phenyl-N-(1-pyrrolidin-1-ylpropyl)pyrimidin-4-amine has a molecular weight of 316.84 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-phenyl-N-(1-pyrrolidin-1-ylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 91357808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).