2-[(4-bromophenyl)methyl]-N-propylpyrimidin-4-amine

C14H16BrN3 — CID 62191844

IUPAC2-[(4-bromophenyl)methyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C14H16BrN3/c1-2-8-16-13-7-9-17-14(18-13)10-11-3-5-12(15)6-4-11/h3-7,9H,2,8,10H2,1H3,(H,16,17,18)
InChIKeyPNBXCAJISNHGRH-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.65
Rot. Bonds5

About 2-[(4-bromophenyl)methyl]-N-propylpyrimidin-4-amine

2-[(4-bromophenyl)methyl]-N-propylpyrimidin-4-amine (PubChem CID 62191844) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-N-propylpyrimidin-4-amine
PubChem CID62191844
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name2-[(4-bromophenyl)methyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C14H16BrN3/c1-2-8-16-13-7-9-17-14(18-13)10-11-3-5-12(15)6-4-11/h3-7,9H,2,8,10H2,1H3,(H,16,17,18)
InChIKeyPNBXCAJISNHGRH-UHFFFAOYSA-N
XLogP3.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 55135198
1-[2-[(4-bromophenyl)methyl]pyrimidin-4-yl]-N-methylmethanamine
CID 62748086
2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine
CID 79089264
2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine
CID 106815248
2-[(2-chloro-4-fluorophenyl)methyl]-N-propylpyrimidin-4-amine
CID 63037745
2-N-[(4-bromophenyl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80755206
2-(butan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine
CID 65141597
2-[(4-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 62190614
5-bromo-N-propyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 66303289
2-(3-bromophenyl)-N-propylpyrimidin-4-amine
CID 55135437
2-(3-bromofuran-2-yl)-N-propylpyrimidin-4-amine
CID 106889197
N-[[2-[(4-bromophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine
CID 62745833

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-N-propylpyrimidin-4-amine?
The IUPAC name of 2-[(4-bromophenyl)methyl]-N-propylpyrimidin-4-amine (CID 62191844) is 2-[(4-bromophenyl)methyl]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-N-propylpyrimidin-4-amine is CCCNc1ccnc(Cc2ccc(Br)cc2)n1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-N-propylpyrimidin-4-amine?
The InChIKey is PNBXCAJISNHGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-2-8-16-13-7-9-17-14(18-13)10-11-3-5-12(15)6-4-11/h3-7,9H,2,8,10H2,1H3,(H,16,17,18).
What are the key properties of 2-[(4-bromophenyl)methyl]-N-propylpyrimidin-4-amine?
2-[(4-bromophenyl)methyl]-N-propylpyrimidin-4-amine has a molecular weight of 306.21 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 62191844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).