N-[[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]methyl]cyclopropanamine

C15H16BrN3 — CID 116898658

IUPACN-[[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]methyl]cyclopropanamine
SMILESCc1ccc(Br)cc1-c1ccnc(CNC2CC2)n1
InChIInChI=1S/C15H16BrN3/c1-10-2-3-11(16)8-13(10)14-6-7-17-15(19-14)9-18-12-4-5-12/h2-3,6-8,12,18H,4-5,9H2,1H3
InChIKeyHPAUTVAZELSPAY-UHFFFAOYSA-N
MW318.22 g/mol
LogP3.47
Rot. Bonds4

About N-[[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]methyl]cyclopropanamine

N-[[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]methyl]cyclopropanamine (PubChem CID 116898658) has the molecular formula C15H16BrN3 and a molecular weight of 318.22 g/mol. Its IUPAC name is N-[[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]methyl]cyclopropanamine
PubChem CID116898658
Molecular FormulaC15H16BrN3
Molecular Weight318.22 g/mol
Exact Mass317.05
IUPAC NameN-[[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]methyl]cyclopropanamine
SMILESCc1ccc(Br)cc1-c1ccnc(CNC2CC2)n1
InChIInChI=1S/C15H16BrN3/c1-10-2-3-11(16)8-13(10)14-6-7-17-15(19-14)9-18-12-4-5-12/h2-3,6-8,12,18H,4-5,9H2,1H3
InChIKeyHPAUTVAZELSPAY-UHFFFAOYSA-N
XLogP3.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-fluorophenyl)pyrimidin-2-yl]methyl]cyclopropanamine
CID 116898661
N-[[5-(5-bromo-2-methylphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79146134
N-[(4-cyclopropylpyrimidin-2-yl)methyl]cyclopropanamine
CID 63318876
1-[1-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine
CID 116902605
N-[[4-(1H-pyrrol-3-yl)pyrimidin-2-yl]methyl]cyclopropanamine
CID 116898651
4-(5-bromo-2-methylphenyl)pyrimidine-2-carboxylic acid
CID 116899778
N-[[4-(1,3-benzoxazol-6-yl)pyrimidin-2-yl]methyl]cyclopropanamine
CID 116898654
3-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]butan-1-amine
CID 116898221
N-[[2-(5-bromo-2-methylphenoxy)pyrimidin-5-yl]methyl]cyclopropanamine
CID 107285101
N-[[5-bromo-2-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 107285712
2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid
CID 84664586
N-[[2-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 114376117

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]methyl]cyclopropanamine (CID 116898658) is N-[[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]methyl]cyclopropanamine is Cc1ccc(Br)cc1-c1ccnc(CNC2CC2)n1.
What is the InChIKey of N-[[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]methyl]cyclopropanamine?
The InChIKey is HPAUTVAZELSPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3/c1-10-2-3-11(16)8-13(10)14-6-7-17-15(19-14)9-18-12-4-5-12/h2-3,6-8,12,18H,4-5,9H2,1H3.
What are the key properties of N-[[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]methyl]cyclopropanamine?
N-[[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]methyl]cyclopropanamine has a molecular weight of 318.22 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 116898658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).