4-N-ethyl-5-fluoro-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine

C12H19FN4O — CID 80798983

IUPAC4-N-ethyl-5-fluoro-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCCN(CC1CCCO1)c1nc(NC)ncc1F
InChIInChI=1S/C12H19FN4O/c1-3-17(8-9-5-4-6-18-9)11-10(13)7-15-12(14-2)16-11/h7,9H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyMYEVIZBUNHEUKQ-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.66
Rot. Bonds5

About 4-N-ethyl-5-fluoro-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine

4-N-ethyl-5-fluoro-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80798983) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-N-ethyl-5-fluoro-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-5-fluoro-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80798983
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC Name4-N-ethyl-5-fluoro-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCCN(CC1CCCO1)c1nc(NC)ncc1F
InChIInChI=1S/C12H19FN4O/c1-3-17(8-9-5-4-6-18-9)11-10(13)7-15-12(14-2)16-11/h7,9H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyMYEVIZBUNHEUKQ-UHFFFAOYSA-N
XLogP1.66
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 132317114
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CID 171359687
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CID 57819348
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CID 66649936

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-5-fluoro-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-5-fluoro-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine (CID 80798983) is 4-N-ethyl-5-fluoro-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-5-fluoro-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-5-fluoro-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine is CCN(CC1CCCO1)c1nc(NC)ncc1F.
What is the InChIKey of 4-N-ethyl-5-fluoro-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is MYEVIZBUNHEUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-3-17(8-9-5-4-6-18-9)11-10(13)7-15-12(14-2)16-11/h7,9H,3-6,8H2,1-2H3,(H,14,15,16).
What are the key properties of 4-N-ethyl-5-fluoro-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
4-N-ethyl-5-fluoro-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 254.31 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-5-fluoro-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80798983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).