5-(3,4-difluorophenyl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine

C16H20F2N6 — CID 69026056

IUPAC5-(3,4-difluorophenyl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
SMILESCN(C)[C@@H]1CCN(c2nc(N)nc(N)c2-c2ccc(F)c(F)c2)C1
InChIInChI=1S/C16H20F2N6/c1-23(2)10-5-6-24(8-10)15-13(14(19)21-16(20)22-15)9-3-4-11(17)12(18)7-9/h3-4,7,10H,5-6,8H2,1-2H3,(H4,19,20,21,22)/t10-/m1/s1
InChIKeyAYIICOFFSQGGEH-SNVBAGLBSA-N
MW334.37 g/mol
LogP1.73
Rot. Bonds3

About 5-(3,4-difluorophenyl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine

5-(3,4-difluorophenyl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine (PubChem CID 69026056) has the molecular formula C16H20F2N6 and a molecular weight of 334.37 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
PubChem CID69026056
Molecular FormulaC16H20F2N6
Molecular Weight334.37 g/mol
Exact Mass334.17
IUPAC Name5-(3,4-difluorophenyl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine
SMILESCN(C)[C@@H]1CCN(c2nc(N)nc(N)c2-c2ccc(F)c(F)c2)C1
InChIInChI=1S/C16H20F2N6/c1-23(2)10-5-6-24(8-10)15-13(14(19)21-16(20)22-15)9-3-4-11(17)12(18)7-9/h3-4,7,10H,5-6,8H2,1-2H3,(H4,19,20,21,22)/t10-/m1/s1
InChIKeyAYIICOFFSQGGEH-SNVBAGLBSA-N
XLogP1.73
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(3,4-difluorophenyl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

1-(2-amino-4-fluorophenyl)-N,N-dimethylpyrrolidin-3-amine
CID 63164395
4-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80828220
5-naphthalen-2-yl-6-piperidin-1-ylpyrimidine-2,4-diamine
CID 21101302
6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25074119
4-[(3S)-3-(dimethylamino)piperidin-1-yl]-8-methyl-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 143609927
4-[3-(dimethylamino)piperidin-1-yl]-6-methoxypyrimidin-2-amine
CID 45184702
5-bromo-2-[3-(dimethylamino)pyrrolidin-1-yl]pyridin-3-amine
CID 63164355
2-[3-(dimethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 63174772
1-[3-(2-aminoethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63786167
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 133372230
6-[4-(dimethylamino)piperidin-1-yl]pyrimidine-2,4-diamine
CID 80792622
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-6,7,8,9-tetrahydro-[1]benzothiolo[3,2-d]pyrimidin-2-amine
CID 25224718

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-(3,4-difluorophenyl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine (CID 69026056) is 5-(3,4-difluorophenyl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(3,4-difluorophenyl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-(3,4-difluorophenyl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine is CN(C)[C@@H]1CCN(c2nc(N)nc(N)c2-c2ccc(F)c(F)c2)C1.
What is the InChIKey of 5-(3,4-difluorophenyl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is AYIICOFFSQGGEH-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H20F2N6/c1-23(2)10-5-6-24(8-10)15-13(14(19)21-16(20)22-15)9-3-4-11(17)12(18)7-9/h3-4,7,10H,5-6,8H2,1-2H3,(H4,19,20,21,22)/t10-/m1/s1.
What are the key properties of 5-(3,4-difluorophenyl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine?
5-(3,4-difluorophenyl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 334.37 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 69026056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).