5-fluoro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine

C10H15FN4O — CID 80813012

IUPAC5-fluoro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(F)c(NCC2CCCOC2)n1
InChIInChI=1S/C10H15FN4O/c11-8-5-14-10(12)15-9(8)13-4-7-2-1-3-16-6-7/h5,7H,1-4,6H2,(H3,12,13,14,15)
InChIKeyJHYBNTKYXLSBIE-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.04
Rot. Bonds3

About 5-fluoro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine

5-fluoro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80813012) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is 5-fluoro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80813012
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name5-fluoro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(F)c(NCC2CCCOC2)n1
InChIInChI=1S/C10H15FN4O/c11-8-5-14-10(12)15-9(8)13-4-7-2-1-3-16-6-7/h5,7H,1-4,6H2,(H3,12,13,14,15)
InChIKeyJHYBNTKYXLSBIE-UHFFFAOYSA-N
XLogP1.04
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813611
3-bromo-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine
CID 79535173
3-N-(oxan-3-ylmethyl)quinoxaline-2,3-diamine
CID 102983881
N-[[(3R)-oxan-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 94180483
2-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813128
2-chloro-N-(cyclobutylmethyl)-5-fluoropyrimidin-4-amine
CID 79081830
5-chloro-4-N-(cyclobutylmethyl)pyrimidine-2,4-diamine
CID 80783168
5-N-(oxan-3-ylmethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66281185
5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine
CID 80784182
3,5,6-trichloro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 102750873
5,6-dimethyl-N-(oxan-3-ylmethyl)pyrazin-2-amine
CID 114475438
4-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-fluoropyrimidine-2,4-diamine
CID 11460065

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine (CID 80813012) is 5-fluoro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine is Nc1ncc(F)c(NCC2CCCOC2)n1.
What is the InChIKey of 5-fluoro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is JHYBNTKYXLSBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O/c11-8-5-14-10(12)15-9(8)13-4-7-2-1-3-16-6-7/h5,7H,1-4,6H2,(H3,12,13,14,15).
What are the key properties of 5-fluoro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine?
5-fluoro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 226.25 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80813012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).