4-N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine

C16H21BrN4 — CID 80986912

IUPAC4-N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)C)nc1NC(C)c1cccc(Br)c1
InChIInChI=1S/C16H21BrN4/c1-9(2)15-20-14(18)10(3)16(21-15)19-11(4)12-6-5-7-13(17)8-12/h5-9,11H,1-4H3,(H3,18,19,20,21)
InChIKeyAJBPDKNZBQVTLH-UHFFFAOYSA-N
MW349.28 g/mol
LogP4.43
Rot. Bonds4

About 4-N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80986912) has the molecular formula C16H21BrN4 and a molecular weight of 349.28 g/mol. Its IUPAC name is 4-N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80986912
Molecular FormulaC16H21BrN4
Molecular Weight349.28 g/mol
Exact Mass348.09
IUPAC Name4-N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)C)nc1NC(C)c1cccc(Br)c1
InChIInChI=1S/C16H21BrN4/c1-9(2)15-20-14(18)10(3)16(21-15)19-11(4)12-6-5-7-13(17)8-12/h5-9,11H,1-4H3,(H3,18,19,20,21)
InChIKeyAJBPDKNZBQVTLH-UHFFFAOYSA-N
XLogP4.43
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[1-(3-bromophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80807914
5-methyl-2-propan-2-yl-4-N-(1-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80994228
2-N-[1-(3-bromophenyl)ethyl]-3-methylpyridine-2,5-diamine
CID 62475884
5-methyl-4-N-[1-(5-methylthiophen-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80986072
4-N-[1-(3-bromophenyl)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80808005
N-[1-(3-bromophenyl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65271415
4-N-[1-(3-bromophenyl)ethyl]pyrimidine-4,5-diamine
CID 79917140
N-[1-(3-bromophenyl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80979147
2-N-[1-(3-bromophenyl)ethyl]pyrazine-2,6-diamine
CID 78988750
5-methyl-4-N-(2-phenylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 104592544
N-[1-(3-bromophenyl)ethyl]-3-propan-2-ylaniline
CID 43100615
4-N-tert-butyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976699

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80986912) is 4-N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is Cc1c(N)nc(C(C)C)nc1NC(C)c1cccc(Br)c1.
What is the InChIKey of 4-N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is AJBPDKNZBQVTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4/c1-9(2)15-20-14(18)10(3)16(21-15)19-11(4)12-6-5-7-13(17)8-12/h5-9,11H,1-4H3,(H3,18,19,20,21).
What are the key properties of 4-N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 349.28 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80986912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).