6-N-(2-bromophenyl)-4-N-cyclopropyl-2-methylpyrimidine-4,6-diamine

C14H15BrN4 — CID 112867600

IUPAC6-N-(2-bromophenyl)-4-N-cyclopropyl-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccccc2Br)cc(NC2CC2)n1
InChIInChI=1S/C14H15BrN4/c1-9-16-13(18-10-6-7-10)8-14(17-9)19-12-5-3-2-4-11(12)15/h2-5,8,10H,6-7H2,1H3,(H2,16,17,18,19)
InChIKeyISAIQRSXCGHGBL-UHFFFAOYSA-N
MW319.21 g/mol
LogP3.87
Rot. Bonds4

About 6-N-(2-bromophenyl)-4-N-cyclopropyl-2-methylpyrimidine-4,6-diamine

6-N-(2-bromophenyl)-4-N-cyclopropyl-2-methylpyrimidine-4,6-diamine (PubChem CID 112867600) has the molecular formula C14H15BrN4 and a molecular weight of 319.21 g/mol. Its IUPAC name is 6-N-(2-bromophenyl)-4-N-cyclopropyl-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2-bromophenyl)-4-N-cyclopropyl-2-methylpyrimidine-4,6-diamine
PubChem CID112867600
Molecular FormulaC14H15BrN4
Molecular Weight319.21 g/mol
Exact Mass318.05
IUPAC Name6-N-(2-bromophenyl)-4-N-cyclopropyl-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccccc2Br)cc(NC2CC2)n1
InChIInChI=1S/C14H15BrN4/c1-9-16-13(18-10-6-7-10)8-14(17-9)19-12-5-3-2-4-11(12)15/h2-5,8,10H,6-7H2,1H3,(H2,16,17,18,19)
InChIKeyISAIQRSXCGHGBL-UHFFFAOYSA-N
XLogP3.87
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclohexyl-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112869068
6-N-(2-bromophenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878982
4-N-cyclopentyl-6-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112868692
4-N-cyclopropyl-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112867594
N-(2-bromophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868937
N-(2-bromophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876605
6-N-(2-bromophenyl)-4-N,4-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 112875723
4-N-(2-bromophenyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112875803
4-N-cyclopropyl-6-N-(2,6-diethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112867547
N-(2-bromophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-amine
CID 112873893
6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopropyl-2-methylpyrimidine-4,6-diamine
CID 112867563
4-N-(2-bromophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80956080

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-bromophenyl)-4-N-cyclopropyl-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2-bromophenyl)-4-N-cyclopropyl-2-methylpyrimidine-4,6-diamine (CID 112867600) is 6-N-(2-bromophenyl)-4-N-cyclopropyl-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2-bromophenyl)-4-N-cyclopropyl-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2-bromophenyl)-4-N-cyclopropyl-2-methylpyrimidine-4,6-diamine is Cc1nc(Nc2ccccc2Br)cc(NC2CC2)n1.
What is the InChIKey of 6-N-(2-bromophenyl)-4-N-cyclopropyl-2-methylpyrimidine-4,6-diamine?
The InChIKey is ISAIQRSXCGHGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4/c1-9-16-13(18-10-6-7-10)8-14(17-9)19-12-5-3-2-4-11(12)15/h2-5,8,10H,6-7H2,1H3,(H2,16,17,18,19).
What are the key properties of 6-N-(2-bromophenyl)-4-N-cyclopropyl-2-methylpyrimidine-4,6-diamine?
6-N-(2-bromophenyl)-4-N-cyclopropyl-2-methylpyrimidine-4,6-diamine has a molecular weight of 319.21 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-bromophenyl)-4-N-cyclopropyl-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112867600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).