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

C12H19FN4O — CID 80795547

IUPAC5-fluoro-2-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(N(C)CC2CCCCO2)n1
InChIInChI=1S/C12H19FN4O/c1-14-12-15-7-10(13)11(16-12)17(2)8-9-5-3-4-6-18-9/h7,9H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyMEQHMYVCXYWFDH-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.66
Rot. Bonds4

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

5-fluoro-2-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80795547) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is 5-fluoro-2-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80795547
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC Name5-fluoro-2-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(N(C)CC2CCCCO2)n1
InChIInChI=1S/C12H19FN4O/c1-14-12-15-7-10(13)11(16-12)17(2)8-9-5-3-4-6-18-9/h7,9H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyMEQHMYVCXYWFDH-UHFFFAOYSA-N
XLogP1.66
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

2-N,4-N-dimethyl-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
CID 80796036
5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis[[(2S)-oxan-2-yl]methyl]pyrimidine-2,4-diamine
CID 96526341
3-chloro-N-methyl-5-(methylaminomethyl)-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 62281998
4-N-(cyclohexylmethyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80799427
2-N,4-N,5-trimethyl-2-N,4-N-bis[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
CID 124859594
5-bromo-2-N,4-N-dimethyl-2-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
CID 133498461
2-[cyclohexyl-[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810933
4-N,6-N-dimethyl-2-methylsulfanyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80799509
5-fluoro-2-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80794294
3-chloro-N-methyl-N-(oxan-2-ylmethyl)-1,2,4-triazin-5-amine
CID 115001102
6-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine
CID 133271712
5-ethyl-4-N,6-N-dimethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80796623

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine (CID 80795547) is 5-fluoro-2-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine is CNc1ncc(F)c(N(C)CC2CCCCO2)n1.
What is the InChIKey of 5-fluoro-2-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is MEQHMYVCXYWFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-14-12-15-7-10(13)11(16-12)17(2)8-9-5-3-4-6-18-9/h7,9H,3-6,8H2,1-2H3,(H,14,15,16).
What are the key properties of 5-fluoro-2-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine?
5-fluoro-2-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 254.31 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80795547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).