2,5-dichloro-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine

C9H13Cl2N3O — CID 79633418

IUPAC2,5-dichloro-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine
SMILESCOCC(C)CNc1nc(Cl)ncc1Cl
InChIInChI=1S/C9H13Cl2N3O/c1-6(5-15-2)3-12-8-7(10)4-13-9(11)14-8/h4,6H,3,5H2,1-2H3,(H,12,13,14)
InChIKeyNLHRJSMQIFJJFA-UHFFFAOYSA-N
MW250.13 g/mol
LogP2.48
Rot. Bonds5

About 2,5-dichloro-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine

2,5-dichloro-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine (PubChem CID 79633418) has the molecular formula C9H13Cl2N3O and a molecular weight of 250.13 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine
PubChem CID79633418
Molecular FormulaC9H13Cl2N3O
Molecular Weight250.13 g/mol
Exact Mass249.04
IUPAC Name2,5-dichloro-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine
SMILESCOCC(C)CNc1nc(Cl)ncc1Cl
InChIInChI=1S/C9H13Cl2N3O/c1-6(5-15-2)3-12-8-7(10)4-13-9(11)14-8/h4,6H,3,5H2,1-2H3,(H,12,13,14)
InChIKeyNLHRJSMQIFJJFA-UHFFFAOYSA-N
XLogP2.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 79632585
2,5-dichloro-N-(2-phenylpropyl)pyrimidin-4-amine
CID 104592094
2,5-dichloro-N-(4-methoxybutyl)pyrimidin-4-amine
CID 79633123
2,5-dichloro-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 79632690
5-chloro-N-(2,3-dimethoxypropyl)-2-methoxypyrimidin-4-amine
CID 113368832
2,5-dichloro-N-methoxypyrimidin-4-amine
CID 135137744
3-chloro-N-(3-methoxy-2-methylpropyl)-5-nitropyridin-2-amine
CID 113238783
5-bromo-2-hydrazinyl-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine
CID 80908831
2-chloro-N-(3-methoxy-2-methylpropyl)-4-methylaniline
CID 116500841
4-[(2-chloro-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 79072829
4-chloro-6-ethoxy-N-(3-methoxy-2-methylpropyl)-1,3,5-triazin-2-amine
CID 62858555
2,5-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 79632889

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine (CID 79633418) is 2,5-dichloro-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine is COCC(C)CNc1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine?
The InChIKey is NLHRJSMQIFJJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2N3O/c1-6(5-15-2)3-12-8-7(10)4-13-9(11)14-8/h4,6H,3,5H2,1-2H3,(H,12,13,14).
What are the key properties of 2,5-dichloro-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine?
2,5-dichloro-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine has a molecular weight of 250.13 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 79633418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).