5-bromo-4-N-(2-methoxycyclopentyl)-2-N-methylpyrimidine-2,4-diamine

C11H17BrN4O — CID 80817325

IUPAC5-bromo-4-N-(2-methoxycyclopentyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(NC2CCCC2OC)n1
InChIInChI=1S/C11H17BrN4O/c1-13-11-14-6-7(12)10(16-11)15-8-4-3-5-9(8)17-2/h6,8-9H,3-5H2,1-2H3,(H2,13,14,15,16)
InChIKeyGKISXQFUHVPBJU-UHFFFAOYSA-N
MW301.19 g/mol
LogP2.26
Rot. Bonds4

About 5-bromo-4-N-(2-methoxycyclopentyl)-2-N-methylpyrimidine-2,4-diamine

5-bromo-4-N-(2-methoxycyclopentyl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80817325) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 5-bromo-4-N-(2-methoxycyclopentyl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(2-methoxycyclopentyl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID80817325
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name5-bromo-4-N-(2-methoxycyclopentyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(NC2CCCC2OC)n1
InChIInChI=1S/C11H17BrN4O/c1-13-11-14-6-7(12)10(16-11)15-8-4-3-5-9(8)17-2/h6,8-9H,3-5H2,1-2H3,(H2,13,14,15,16)
InChIKeyGKISXQFUHVPBJU-UHFFFAOYSA-N
XLogP2.26
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-N-(2-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine
CID 114122167
5-bromo-4-N-cycloheptyl-2-N-methylpyrimidine-2,4-diamine
CID 80771027
2-N-ethyl-4-N-(2-methoxycyclopentyl)-5-methylpyrimidine-2,4-diamine
CID 80817562
trans-(1S,2S)-2-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]cyclopentan-1-ol
CID 99857879
N-(2-methoxycyclopentyl)-3,6-dimethylpyrazin-2-amine
CID 65417548
5-bromo-4-N-(2,2-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine
CID 80849952
5-fluoro-4-N-(2-methoxycyclopentyl)-2-N-propylpyrimidine-2,4-diamine
CID 80817323
2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80919191
5-bromo-4-(3-methoxycyclohexyl)oxy-N-methylpyrimidin-2-amine
CID 80876725
5-bromo-2-N-ethyl-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80777337
5-chloro-4-N-(2,3-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine
CID 80777437
5-bromo-2-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 80812505

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(2-methoxycyclopentyl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(2-methoxycyclopentyl)-2-N-methylpyrimidine-2,4-diamine (CID 80817325) is 5-bromo-4-N-(2-methoxycyclopentyl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(2-methoxycyclopentyl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(2-methoxycyclopentyl)-2-N-methylpyrimidine-2,4-diamine is CNc1ncc(Br)c(NC2CCCC2OC)n1.
What is the InChIKey of 5-bromo-4-N-(2-methoxycyclopentyl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is GKISXQFUHVPBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-13-11-14-6-7(12)10(16-11)15-8-4-3-5-9(8)17-2/h6,8-9H,3-5H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-bromo-4-N-(2-methoxycyclopentyl)-2-N-methylpyrimidine-2,4-diamine?
5-bromo-4-N-(2-methoxycyclopentyl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 301.19 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(2-methoxycyclopentyl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80817325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).