N-[1-(2-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine

C16H19BrN4 — CID 133290454

IUPACN-[1-(2-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCC(Nc1cc(N2CCCC2)ncn1)c1ccccc1Br
InChIInChI=1S/C16H19BrN4/c1-12(13-6-2-3-7-14(13)17)20-15-10-16(19-11-18-15)21-8-4-5-9-21/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H,18,19,20)
InChIKeyFZUNEXKHXRNBBK-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.01
Rot. Bonds4

About N-[1-(2-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine

N-[1-(2-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 133290454) has the molecular formula C16H19BrN4 and a molecular weight of 347.26 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID133290454
Molecular FormulaC16H19BrN4
Molecular Weight347.26 g/mol
Exact Mass346.08
IUPAC NameN-[1-(2-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCC(Nc1cc(N2CCCC2)ncn1)c1ccccc1Br
InChIInChI=1S/C16H19BrN4/c1-12(13-6-2-3-7-14(13)17)20-15-10-16(19-11-18-15)21-8-4-5-9-21/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H,18,19,20)
InChIKeyFZUNEXKHXRNBBK-UHFFFAOYSA-N
XLogP4.01
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylethyl)-6-piperidin-1-ylpyrimidin-4-amine
CID 112856019
6-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112859333
N-(1-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859300
N-[1-(3,4-dimethoxyphenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297281
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133477612
6-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112858031
[1-[6-[1-(2,3-dichlorophenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133307782
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133331042
1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 122282330
6-morpholin-4-yl-N-[(1R)-1-pyridin-4-ylethyl]pyrimidin-4-amine
CID 124626033
N-(1-morpholin-4-ylpropan-2-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 133291179
(2R)-4-methyl-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]pentanoic acid
CID 120964190

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 133290454) is N-[1-(2-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine is CC(Nc1cc(N2CCCC2)ncn1)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is FZUNEXKHXRNBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4/c1-12(13-6-2-3-7-14(13)17)20-15-10-16(19-11-18-15)21-8-4-5-9-21/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H,18,19,20).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine?
N-[1-(2-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 347.26 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 133290454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).