5-fluoro-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine

C8H13FN4O — CID 80786096

IUPAC5-fluoro-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine
SMILESCOCC(C)Nc1nc(N)ncc1F
InChIInChI=1S/C8H13FN4O/c1-5(4-14-2)12-7-6(9)3-11-8(10)13-7/h3,5H,4H2,1-2H3,(H3,10,11,12,13)
InChIKeyDZTZXPFCTRGTGA-UHFFFAOYSA-N
MW200.22 g/mol
LogP0.64
Rot. Bonds4

About 5-fluoro-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine

5-fluoro-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine (PubChem CID 80786096) has the molecular formula C8H13FN4O and a molecular weight of 200.22 g/mol. Its IUPAC name is 5-fluoro-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine
PubChem CID80786096
Molecular FormulaC8H13FN4O
Molecular Weight200.22 g/mol
Exact Mass200.11
IUPAC Name5-fluoro-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine
SMILESCOCC(C)Nc1nc(N)ncc1F
InChIInChI=1S/C8H13FN4O/c1-5(4-14-2)12-7-6(9)3-11-8(10)13-7/h3,5H,4H2,1-2H3,(H3,10,11,12,13)
InChIKeyDZTZXPFCTRGTGA-UHFFFAOYSA-N
XLogP0.64
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine (CID 80786096) is 5-fluoro-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine is COCC(C)Nc1nc(N)ncc1F.
What is the InChIKey of 5-fluoro-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is DZTZXPFCTRGTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4O/c1-5(4-14-2)12-7-6(9)3-11-8(10)13-7/h3,5H,4H2,1-2H3,(H3,10,11,12,13).
What are the key properties of 5-fluoro-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine?
5-fluoro-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 200.22 g/mol, XLogP of 0.64, 4 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-methoxypropan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80786096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).