5-bromo-4-N-(3-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine

C13H21BrN4 — CID 114072829

IUPAC5-bromo-4-N-(3-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC2CCC(C)C2)c1Br
InChIInChI=1S/C13H21BrN4/c1-3-6-15-12-11(14)13(17-8-16-12)18-10-5-4-9(2)7-10/h8-10H,3-7H2,1-2H3,(H2,15,16,17,18)
InChIKeyXORSXGCRFVDHRA-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.66
Rot. Bonds5

About 5-bromo-4-N-(3-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine

5-bromo-4-N-(3-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 114072829) has the molecular formula C13H21BrN4 and a molecular weight of 313.24 g/mol. Its IUPAC name is 5-bromo-4-N-(3-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(3-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID114072829
Molecular FormulaC13H21BrN4
Molecular Weight313.24 g/mol
Exact Mass312.09
IUPAC Name5-bromo-4-N-(3-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC2CCC(C)C2)c1Br
InChIInChI=1S/C13H21BrN4/c1-3-6-15-12-11(14)13(17-8-16-12)18-10-5-4-9(2)7-10/h8-10H,3-7H2,1-2H3,(H2,15,16,17,18)
InChIKeyXORSXGCRFVDHRA-UHFFFAOYSA-N
XLogP3.66
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-methylcyclopentyl)-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 114541985
5-bromo-4-N-(3-methylcyclopentyl)-2-N-propylpyrimidine-2,4-diamine
CID 114541901
5-bromo-4-N-(cyclobutylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 114071957
5-methoxy-4-N-(3-methylcyclobutyl)-6-N-propylpyrimidine-4,6-diamine
CID 113467587
4-N-(3-methylcyclopentyl)-2-N-propylpyridine-2,4-diamine
CID 114541916
5-bromo-4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 114072016
4-N-cyclopentyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80770351
5-bromo-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 114072281
4-N-cycloheptyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80771825
5-bromo-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 114072014
5-bromo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300318
5-fluoro-4-N-(3-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
CID 80783067

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(3-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 5-bromo-4-N-(3-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine (CID 114072829) is 5-bromo-4-N-(3-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-bromo-4-N-(3-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 5-bromo-4-N-(3-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NC2CCC(C)C2)c1Br.
What is the InChIKey of 5-bromo-4-N-(3-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is XORSXGCRFVDHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4/c1-3-6-15-12-11(14)13(17-8-16-12)18-10-5-4-9(2)7-10/h8-10H,3-7H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-bromo-4-N-(3-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine?
5-bromo-4-N-(3-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 313.24 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(3-methylcyclopentyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 114072829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).