2-chloro-5-fluoro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine

C9H13ClFN3O — CID 79075365

IUPAC2-chloro-5-fluoro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine
SMILESCCC(COC)Nc1nc(Cl)ncc1F
InChIInChI=1S/C9H13ClFN3O/c1-3-6(5-15-2)13-8-7(11)4-12-9(10)14-8/h4,6H,3,5H2,1-2H3,(H,12,13,14)
InChIKeyQMZVBRDCNCMKOW-UHFFFAOYSA-N
MW233.67 g/mol
LogP2.11
Rot. Bonds5

About 2-chloro-5-fluoro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine

2-chloro-5-fluoro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine (PubChem CID 79075365) has the molecular formula C9H13ClFN3O and a molecular weight of 233.67 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine
PubChem CID79075365
Molecular FormulaC9H13ClFN3O
Molecular Weight233.67 g/mol
Exact Mass233.07
IUPAC Name2-chloro-5-fluoro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine
SMILESCCC(COC)Nc1nc(Cl)ncc1F
InChIInChI=1S/C9H13ClFN3O/c1-3-6(5-15-2)13-8-7(11)4-12-9(10)14-8/h4,6H,3,5H2,1-2H3,(H,12,13,14)
InChIKeyQMZVBRDCNCMKOW-UHFFFAOYSA-N
XLogP2.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 1945080
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CID 58336990
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CID 3121397
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CID 5306794
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CID 89165285
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CID 151901268
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CID 164076640
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine (CID 79075365) is 2-chloro-5-fluoro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine is CCC(COC)Nc1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine?
The InChIKey is QMZVBRDCNCMKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClFN3O/c1-3-6(5-15-2)13-8-7(11)4-12-9(10)14-8/h4,6H,3,5H2,1-2H3,(H,12,13,14).
What are the key properties of 2-chloro-5-fluoro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine?
2-chloro-5-fluoro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine has a molecular weight of 233.67 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 79075365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).