5-fluoro-4-N-(1-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine

C10H17FN4O — CID 80837117

IUPAC5-fluoro-4-N-(1-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine
SMILESCCC(COC)Nc1nc(NC)ncc1F
InChIInChI=1S/C10H17FN4O/c1-4-7(6-16-3)14-9-8(11)5-13-10(12-2)15-9/h5,7H,4,6H2,1-3H3,(H2,12,13,14,15)
InChIKeyCMMUKEXQZBQZJO-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.49
Rot. Bonds6

About 5-fluoro-4-N-(1-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine

5-fluoro-4-N-(1-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80837117) has the molecular formula C10H17FN4O and a molecular weight of 228.27 g/mol. Its IUPAC name is 5-fluoro-4-N-(1-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(1-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID80837117
Molecular FormulaC10H17FN4O
Molecular Weight228.27 g/mol
Exact Mass228.14
IUPAC Name5-fluoro-4-N-(1-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine
SMILESCCC(COC)Nc1nc(NC)ncc1F
InChIInChI=1S/C10H17FN4O/c1-4-7(6-16-3)14-9-8(11)5-13-10(12-2)15-9/h5,7H,4,6H2,1-3H3,(H2,12,13,14,15)
InChIKeyCMMUKEXQZBQZJO-UHFFFAOYSA-N
XLogP1.49
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-4-N-(1-methoxybutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80837212
5-fluoro-2-N-methyl-4-N-pentan-2-ylpyrimidine-2,4-diamine
CID 80770323
4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol
CID 106248733
4-N-(1-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80837219
5-bromo-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80770925
3-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163039
4-N-ethyl-5-fluoro-4-N-(1-methoxypropan-2-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80814766
2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3-phenylpropan-1-ol
CID 80828721
5-fluoro-4-N-(1-methoxy-3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80841997
4-butan-2-yloxy-5-fluoro-N-methylpyrimidin-2-amine
CID 80866074
3-N-(1-methoxybutan-2-yl)pyrazine-2,3-diamine
CID 102984478
4-N-hexan-3-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80817968

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-(1-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(1-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine (CID 80837117) is 5-fluoro-4-N-(1-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(1-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(1-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine is CCC(COC)Nc1nc(NC)ncc1F.
What is the InChIKey of 5-fluoro-4-N-(1-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is CMMUKEXQZBQZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4O/c1-4-7(6-16-3)14-9-8(11)5-13-10(12-2)15-9/h5,7H,4,6H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 5-fluoro-4-N-(1-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine?
5-fluoro-4-N-(1-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 228.27 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-(1-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80837117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).