N-butyl-N-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine

C19H26N4 — CID 112934134

IUPACN-butyl-N-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCCCCN(C)c1nc(-c2ccccc2)cc(N2CCCC2)n1
InChIInChI=1S/C19H26N4/c1-3-4-12-22(2)19-20-17(16-10-6-5-7-11-16)15-18(21-19)23-13-8-9-14-23/h5-7,10-11,15H,3-4,8-9,12-14H2,1-2H3
InChIKeyLKMZMTGKIZEEDL-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.98
Rot. Bonds6

About N-butyl-N-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine

N-butyl-N-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 112934134) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-butyl-N-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-butyl-N-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID112934134
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC NameN-butyl-N-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCCCCN(C)c1nc(-c2ccccc2)cc(N2CCCC2)n1
InChIInChI=1S/C19H26N4/c1-3-4-12-22(2)19-20-17(16-10-6-5-7-11-16)15-18(21-19)23-13-8-9-14-23/h5-7,10-11,15H,3-4,8-9,12-14H2,1-2H3
InChIKeyLKMZMTGKIZEEDL-UHFFFAOYSA-N
XLogP3.98
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N,4-diphenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934155
N-benzyl-N-ethyl-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112934501
N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112933620
2-N,4-N-dibutyl-2-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 112933584
2-N-butyl-2-N-methyl-6-phenyl-4-N-propylpyrimidine-2,4-diamine
CID 112932437
4-(azepan-1-yl)-N-butyl-6-phenylpyrimidin-2-amine
CID 112933669
4-(azepan-1-yl)-N-methyl-N-octylpyrimidin-2-amine
CID 66904228
N-butyl-N-methyl-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941878
1-(2-methyl-6-phenylpyrimidin-4-yl)azepane
CID 16876766
2-N-butyl-2-N-methyl-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112933755
N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine
CID 112923645
2-(4-ethylpiperazin-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine
CID 112934083

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-butyl-N-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine (CID 112934134) is N-butyl-N-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-butyl-N-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-butyl-N-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine is CCCCN(C)c1nc(-c2ccccc2)cc(N2CCCC2)n1.
What is the InChIKey of N-butyl-N-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is LKMZMTGKIZEEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-3-4-12-22(2)19-20-17(16-10-6-5-7-11-16)15-18(21-19)23-13-8-9-14-23/h5-7,10-11,15H,3-4,8-9,12-14H2,1-2H3.
What are the key properties of N-butyl-N-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
N-butyl-N-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 310.44 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 112934134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).