5-fluoro-2-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine

C15H26FN5O — CID 97195093

IUPAC5-fluoro-2-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
SMILESCOCCN1CC[C@H](CN(C)c2ncc(F)c(N(C)C)n2)C1
InChIInChI=1S/C15H26FN5O/c1-19(2)14-13(16)9-17-15(18-14)20(3)10-12-5-6-21(11-12)7-8-22-4/h9,12H,5-8,10-11H2,1-4H3/t12-/m1/s1
InChIKeyZRFHZHXSRPFLDG-GFCCVEGCSA-N
MW311.40 g/mol
LogP1.09
Rot. Bonds7

About 5-fluoro-2-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine

5-fluoro-2-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine (PubChem CID 97195093) has the molecular formula C15H26FN5O and a molecular weight of 311.40 g/mol. Its IUPAC name is 5-fluoro-2-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
PubChem CID97195093
Molecular FormulaC15H26FN5O
Molecular Weight311.40 g/mol
Exact Mass311.21
IUPAC Name5-fluoro-2-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
SMILESCOCCN1CC[C@H](CN(C)c2ncc(F)c(N(C)C)n2)C1
InChIInChI=1S/C15H26FN5O/c1-19(2)14-13(16)9-17-15(18-14)20(3)10-12-5-6-21(11-12)7-8-22-4/h9,12H,5-8,10-11H2,1-4H3/t12-/m1/s1
InChIKeyZRFHZHXSRPFLDG-GFCCVEGCSA-N
XLogP1.09
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-2-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-8-(trifluoromethyl)quinolin-4-amine
CID 135104380
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 131930333
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-1-pyrimidin-2-ylpiperidin-4-amine
CID 97275895
2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methylimidazole
CID 110269241
1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-methyl-N-[(2-methyl-3-pyridinyl)methyl]methanamine
CID 134696870
2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-5-methylpyridine
CID 110269242
5-fluoro-2-N,4-N,4-N-trimethyl-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 72913700
4-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-5-carboxylic acid
CID 83181466
N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 99942756
5-fluoro-N,N-dimethyl-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]pyrimidin-4-amine
CID 135090857
N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97283243
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,2-dimethyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 131902198

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine (CID 97195093) is 5-fluoro-2-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine is COCCN1CC[C@H](CN(C)c2ncc(F)c(N(C)C)n2)C1.
What is the InChIKey of 5-fluoro-2-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine?
The InChIKey is ZRFHZHXSRPFLDG-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26FN5O/c1-19(2)14-13(16)9-17-15(18-14)20(3)10-12-5-6-21(11-12)7-8-22-4/h9,12H,5-8,10-11H2,1-4H3/t12-/m1/s1.
What are the key properties of 5-fluoro-2-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine?
5-fluoro-2-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine has a molecular weight of 311.40 g/mol, XLogP of 1.09, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 97195093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).