N-ethyl-5-fluoro-6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine

C12H18FN3O — CID 103987827

IUPACN-ethyl-5-fluoro-6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine
SMILESCCNc1nc(CC2CCOC2)nc(C)c1F
InChIInChI=1S/C12H18FN3O/c1-3-14-12-11(13)8(2)15-10(16-12)6-9-4-5-17-7-9/h9H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyCQICKYYOKRQOFY-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.93
Rot. Bonds4

About N-ethyl-5-fluoro-6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine

N-ethyl-5-fluoro-6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine (PubChem CID 103987827) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is N-ethyl-5-fluoro-6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine
PubChem CID103987827
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC NameN-ethyl-5-fluoro-6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine
SMILESCCNc1nc(CC2CCOC2)nc(C)c1F
InChIInChI=1S/C12H18FN3O/c1-3-14-12-11(13)8(2)15-10(16-12)6-9-4-5-17-7-9/h9H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyCQICKYYOKRQOFY-UHFFFAOYSA-N
XLogP1.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-fluoro-6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine (CID 103987827) is N-ethyl-5-fluoro-6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-fluoro-6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-fluoro-6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine is CCNc1nc(CC2CCOC2)nc(C)c1F.
What is the InChIKey of N-ethyl-5-fluoro-6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is CQICKYYOKRQOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-3-14-12-11(13)8(2)15-10(16-12)6-9-4-5-17-7-9/h9H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of N-ethyl-5-fluoro-6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine?
N-ethyl-5-fluoro-6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 239.29 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 103987827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).