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

C13H21FN4O — CID 80795951

IUPAC5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(N(C)CC2CCCO2)n1
InChIInChI=1S/C13H21FN4O/c1-3-6-15-13-16-8-11(14)12(17-13)18(2)9-10-5-4-7-19-10/h8,10H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyHERGTBOSRRIYJU-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.05
Rot. Bonds6

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

5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80795951) has the molecular formula C13H21FN4O and a molecular weight of 268.34 g/mol. Its IUPAC name is 5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80795951
Molecular FormulaC13H21FN4O
Molecular Weight268.34 g/mol
Exact Mass268.17
IUPAC Name5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(N(C)CC2CCCO2)n1
InChIInChI=1S/C13H21FN4O/c1-3-6-15-13-16-8-11(14)12(17-13)18(2)9-10-5-4-7-19-10/h8,10H,3-7,9H2,1-2H3,(H,15,16,17)
InChIKeyHERGTBOSRRIYJU-UHFFFAOYSA-N
XLogP2.05
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-N-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 3121396
2-chloro-N-((tetrahydrofuran-2-yl)methyl)pyrimidin-4-amine
CID 4778956
N-[(3-ethyl-4,5-dihydroisoxazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 50949745
5-fluoro-N-methyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine
CID 56866727
5-[[ethyl(oxan-4-yl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99949653
5-fluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine
CID 124594370
4-N-(2,2-difluoroethyl)-5-fluoro-2-N-(2-methoxyethyl)-2-N-methylpyrimidine-2,4-diamine
CID 126829731
2-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]pyrimidin-4-amine
CID 128564520
5-fluoro-2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 128978429
N-(2,2-difluoroethyl)-5-fluoro-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidin-4-amine
CID 132317114
trans-(1R,2R)-2-(difluoromethoxy)-N-[(2-ethylpyrimidin-5-yl)methyl]cyclopentan-1-amine
CID 137997851
5-fluoro-4-N,4-N-dimethyl-2-N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]pyrimidine-2,4-diamine
CID 171359687

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine (CID 80795951) is 5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(F)c(N(C)CC2CCCO2)n1.
What is the InChIKey of 5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is HERGTBOSRRIYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4O/c1-3-6-15-13-16-8-11(14)12(17-13)18(2)9-10-5-4-7-19-10/h8,10H,3-7,9H2,1-2H3,(H,15,16,17).
What are the key properties of 5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine?
5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 268.34 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-methyl-4-N-(oxolan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80795951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).