N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine

C15H18FN3O — CID 65096408

IUPACN,6-diethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
SMILESCCNc1cc(CC)nc(-c2ccc(OC)c(F)c2)n1
InChIInChI=1S/C15H18FN3O/c1-4-11-9-14(17-5-2)19-15(18-11)10-6-7-13(20-3)12(16)8-10/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyITAVXKSRVYSBNZ-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.29
Rot. Bonds5

About N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine

N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine (PubChem CID 65096408) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-diethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
PubChem CID65096408
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN,6-diethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
SMILESCCNc1cc(CC)nc(-c2ccc(OC)c(F)c2)n1
InChIInChI=1S/C15H18FN3O/c1-4-11-9-14(17-5-2)19-15(18-11)10-6-7-13(20-3)12(16)8-10/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyITAVXKSRVYSBNZ-UHFFFAOYSA-N
XLogP3.29
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine (CID 65096408) is N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine is CCNc1cc(CC)nc(-c2ccc(OC)c(F)c2)n1.
What is the InChIKey of N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is ITAVXKSRVYSBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-4-11-9-14(17-5-2)19-15(18-11)10-6-7-13(20-3)12(16)8-10/h6-9H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine?
N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 275.33 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 65096408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).