5-chloro-N-(2-chloro-4-methylpentyl)pyrimidin-4-amine

C10H15Cl2N3 — CID 107156317

IUPAC5-chloro-N-(2-chloro-4-methylpentyl)pyrimidin-4-amine
SMILESCC(C)CC(Cl)CNc1ncncc1Cl
InChIInChI=1S/C10H15Cl2N3/c1-7(2)3-8(11)4-14-10-9(12)5-13-6-15-10/h5-8H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyXSEFPLVYHKOTQM-UHFFFAOYSA-N
MW248.16 g/mol
LogP3.20
Rot. Bonds5

About 5-chloro-N-(2-chloro-4-methylpentyl)pyrimidin-4-amine

5-chloro-N-(2-chloro-4-methylpentyl)pyrimidin-4-amine (PubChem CID 107156317) has the molecular formula C10H15Cl2N3 and a molecular weight of 248.16 g/mol. Its IUPAC name is 5-chloro-N-(2-chloro-4-methylpentyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(2-chloro-4-methylpentyl)pyrimidin-4-amine
PubChem CID107156317
Molecular FormulaC10H15Cl2N3
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name5-chloro-N-(2-chloro-4-methylpentyl)pyrimidin-4-amine
SMILESCC(C)CC(Cl)CNc1ncncc1Cl
InChIInChI=1S/C10H15Cl2N3/c1-7(2)3-8(11)4-14-10-9(12)5-13-6-15-10/h5-8H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyXSEFPLVYHKOTQM-UHFFFAOYSA-N
XLogP3.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(5-chloropyrimidin-4-yl)propane-1,2-diamine
CID 105369964
5-chloro-N-(4-methylpentan-2-yl)pyrimidin-4-amine
CID 105369165
1-N-(5-chloropyrimidin-4-yl)-3-ethylpentane-1,2-diamine
CID 106286982
3-[(5-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106170483
5-chloro-N-(2,3-dimethoxypropyl)pyrimidin-4-amine
CID 102975966
3,5-dibromo-N-(2-chloro-4-methylpentyl)pyridin-2-amine
CID 107156387
5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine
CID 130993170
N'-(5-chloropyrimidin-4-yl)-2-methylpentane-1,5-diamine
CID 106155271
N'-(5-chloropyrimidin-4-yl)-N-ethylpropane-1,3-diamine
CID 105369876
5-chloro-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
CID 106294327
2-[(5-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 102975891
5-chloro-N-(4-methoxybutan-2-yl)pyrimidin-4-amine
CID 105369462

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-chloro-4-methylpentyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(2-chloro-4-methylpentyl)pyrimidin-4-amine (CID 107156317) is 5-chloro-N-(2-chloro-4-methylpentyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(2-chloro-4-methylpentyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(2-chloro-4-methylpentyl)pyrimidin-4-amine is CC(C)CC(Cl)CNc1ncncc1Cl.
What is the InChIKey of 5-chloro-N-(2-chloro-4-methylpentyl)pyrimidin-4-amine?
The InChIKey is XSEFPLVYHKOTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2N3/c1-7(2)3-8(11)4-14-10-9(12)5-13-6-15-10/h5-8H,3-4H2,1-2H3,(H,13,14,15).
What are the key properties of 5-chloro-N-(2-chloro-4-methylpentyl)pyrimidin-4-amine?
5-chloro-N-(2-chloro-4-methylpentyl)pyrimidin-4-amine has a molecular weight of 248.16 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-chloro-4-methylpentyl)pyrimidin-4-amine is sourced from PubChem (CID 107156317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).