N-[(4-aminocyclohexyl)methyl]-2-bromo-N-methylpyrimidin-5-amine

C12H19BrN4 — CID 58437743

IUPACN-[(4-aminocyclohexyl)methyl]-2-bromo-N-methylpyrimidin-5-amine
SMILESCN(CC1CCC(N)CC1)c1cnc(Br)nc1
InChIInChI=1S/C12H19BrN4/c1-17(11-6-15-12(13)16-7-11)8-9-2-4-10(14)5-3-9/h6-7,9-10H,2-5,8,14H2,1H3
InChIKeyFMLMOLHUVSVQQR-UHFFFAOYSA-N
MW299.22 g/mol
LogP2.19
Rot. Bonds3

About N-[(4-aminocyclohexyl)methyl]-2-bromo-N-methylpyrimidin-5-amine

N-[(4-aminocyclohexyl)methyl]-2-bromo-N-methylpyrimidin-5-amine (PubChem CID 58437743) has the molecular formula C12H19BrN4 and a molecular weight of 299.22 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-2-bromo-N-methylpyrimidin-5-amine.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-2-bromo-N-methylpyrimidin-5-amine
PubChem CID58437743
Molecular FormulaC12H19BrN4
Molecular Weight299.22 g/mol
Exact Mass298.08
IUPAC NameN-[(4-aminocyclohexyl)methyl]-2-bromo-N-methylpyrimidin-5-amine
SMILESCN(CC1CCC(N)CC1)c1cnc(Br)nc1
InChIInChI=1S/C12H19BrN4/c1-17(11-6-15-12(13)16-7-11)8-9-2-4-10(14)5-3-9/h6-7,9-10H,2-5,8,14H2,1H3
InChIKeyFMLMOLHUVSVQQR-UHFFFAOYSA-N
XLogP2.19
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-2-bromo-N-methylpyrimidin-5-amine?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-2-bromo-N-methylpyrimidin-5-amine (CID 58437743) is N-[(4-aminocyclohexyl)methyl]-2-bromo-N-methylpyrimidin-5-amine.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-2-bromo-N-methylpyrimidin-5-amine?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-2-bromo-N-methylpyrimidin-5-amine is CN(CC1CCC(N)CC1)c1cnc(Br)nc1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-2-bromo-N-methylpyrimidin-5-amine?
The InChIKey is FMLMOLHUVSVQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4/c1-17(11-6-15-12(13)16-7-11)8-9-2-4-10(14)5-3-9/h6-7,9-10H,2-5,8,14H2,1H3.
What are the key properties of N-[(4-aminocyclohexyl)methyl]-2-bromo-N-methylpyrimidin-5-amine?
N-[(4-aminocyclohexyl)methyl]-2-bromo-N-methylpyrimidin-5-amine has a molecular weight of 299.22 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-2-bromo-N-methylpyrimidin-5-amine is sourced from PubChem (CID 58437743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).