5-bromo-4-N-methyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

C14H18BrN5 — CID 80788051

IUPAC5-bromo-4-N-methyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCCCNc1ncc(Br)c(N(C)Cc2cccnc2)n1
InChIInChI=1S/C14H18BrN5/c1-3-6-17-14-18-9-12(15)13(19-14)20(2)10-11-5-4-7-16-8-11/h4-5,7-9H,3,6,10H2,1-2H3,(H,17,18,19)
InChIKeyRZUVBHBXGWQXPO-UHFFFAOYSA-N
MW336.24 g/mol
LogP3.09
Rot. Bonds6

About 5-bromo-4-N-methyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

5-bromo-4-N-methyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80788051) has the molecular formula C14H18BrN5 and a molecular weight of 336.24 g/mol. Its IUPAC name is 5-bromo-4-N-methyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-methyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80788051
Molecular FormulaC14H18BrN5
Molecular Weight336.24 g/mol
Exact Mass335.07
IUPAC Name5-bromo-4-N-methyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCCCNc1ncc(Br)c(N(C)Cc2cccnc2)n1
InChIInChI=1S/C14H18BrN5/c1-3-6-17-14-18-9-12(15)13(19-14)20(2)10-11-5-4-7-16-8-11/h4-5,7-9H,3,6,10H2,1-2H3,(H,17,18,19)
InChIKeyRZUVBHBXGWQXPO-UHFFFAOYSA-N
XLogP3.09
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,5-dimethyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 80787782
5-bromo-2-chloro-N-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 79076488
4-N-benzyl-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80753731
5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80799004
4-N-benzyl-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80753808
5-bromo-4-N-(cyclobutylmethyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80825500
6-methoxy-2-N-methyl-4-N-propyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80775435
2-N-methyl-6-N-propyl-2-N-(pyridin-3-ylmethyl)pyrazine-2,6-diamine
CID 80787409
4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80750096
5-N-methyl-3-N-propyl-5-N-(pyridin-3-ylmethyl)pyridine-3,5-diamine
CID 104533005
2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide
CID 80805220
N-propyl-4-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 104737154

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-methyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-methyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (CID 80788051) is 5-bromo-4-N-methyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-methyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-methyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is CCCNc1ncc(Br)c(N(C)Cc2cccnc2)n1.
What is the InChIKey of 5-bromo-4-N-methyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is RZUVBHBXGWQXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5/c1-3-6-17-14-18-9-12(15)13(19-14)20(2)10-11-5-4-7-16-8-11/h4-5,7-9H,3,6,10H2,1-2H3,(H,17,18,19).
What are the key properties of 5-bromo-4-N-methyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
5-bromo-4-N-methyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 336.24 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-methyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80788051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).