N-(4-bromopentan-2-yl)-6-methylsulfanylpyrimidin-4-amine

C10H16BrN3S — CID 106973796

IUPACN-(4-bromopentan-2-yl)-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(NC(C)CC(C)Br)ncn1
InChIInChI=1S/C10H16BrN3S/c1-7(11)4-8(2)14-9-5-10(15-3)13-6-12-9/h5-8H,4H2,1-3H3,(H,12,13,14)
InChIKeyVDILTINJEGJTPM-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.17
Rot. Bonds5

About N-(4-bromopentan-2-yl)-6-methylsulfanylpyrimidin-4-amine

N-(4-bromopentan-2-yl)-6-methylsulfanylpyrimidin-4-amine (PubChem CID 106973796) has the molecular formula C10H16BrN3S and a molecular weight of 290.23 g/mol. Its IUPAC name is N-(4-bromopentan-2-yl)-6-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromopentan-2-yl)-6-methylsulfanylpyrimidin-4-amine
PubChem CID106973796
Molecular FormulaC10H16BrN3S
Molecular Weight290.23 g/mol
Exact Mass289.02
IUPAC NameN-(4-bromopentan-2-yl)-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(NC(C)CC(C)Br)ncn1
InChIInChI=1S/C10H16BrN3S/c1-7(11)4-8(2)14-9-5-10(15-3)13-6-12-9/h5-8H,4H2,1-3H3,(H,12,13,14)
InChIKeyVDILTINJEGJTPM-UHFFFAOYSA-N
XLogP3.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(4-bromopentan-2-yl)-6-methylsulfanylpyrimidin-4-amine 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

N-(4-methoxybutan-2-yl)-6-methylsulfanylpyrimidin-4-amine
CID 106972875
6-methylsulfanyl-N-pentan-3-ylpyrimidin-4-amine
CID 106972535
N-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972533
1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine
CID 106973229
1-N,1-N,3-trimethyl-2-N-(6-methylsulfanylpyrimidin-4-yl)butane-1,2-diamine
CID 106972725
6-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 106972565
6-methylsulfanyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 106973004
N-(2-methylpropyl)-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide
CID 106972989
3-[(6-methylsulfanylpyrimidin-4-yl)amino]pentan-1-ol
CID 106973053
2-[(6-methylsulfanylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 106972987
N-(2,2-dicyclopropylethyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972899
N-(cyclopropylmethyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972538

Frequently Asked Questions

What is the IUPAC name of N-(4-bromopentan-2-yl)-6-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-(4-bromopentan-2-yl)-6-methylsulfanylpyrimidin-4-amine (CID 106973796) is N-(4-bromopentan-2-yl)-6-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-(4-bromopentan-2-yl)-6-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-(4-bromopentan-2-yl)-6-methylsulfanylpyrimidin-4-amine is CSc1cc(NC(C)CC(C)Br)ncn1.
What is the InChIKey of N-(4-bromopentan-2-yl)-6-methylsulfanylpyrimidin-4-amine?
The InChIKey is VDILTINJEGJTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3S/c1-7(11)4-8(2)14-9-5-10(15-3)13-6-12-9/h5-8H,4H2,1-3H3,(H,12,13,14).
What are the key properties of N-(4-bromopentan-2-yl)-6-methylsulfanylpyrimidin-4-amine?
N-(4-bromopentan-2-yl)-6-methylsulfanylpyrimidin-4-amine has a molecular weight of 290.23 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromopentan-2-yl)-6-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 106973796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).