5-fluoro-2-N,4-N-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine

C13H16FN5 — CID 80851704

IUPAC5-fluoro-2-N,4-N-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(N(C)Cc2cccc(C)n2)n1
InChIInChI=1S/C13H16FN5/c1-9-5-4-6-10(17-9)8-19(3)12-11(14)7-16-13(15-2)18-12/h4-7H,8H2,1-3H3,(H,15,16,18)
InChIKeyBGYPMMPMBBBCJZ-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.00
Rot. Bonds4

About 5-fluoro-2-N,4-N-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine

5-fluoro-2-N,4-N-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine (PubChem CID 80851704) has the molecular formula C13H16FN5 and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-fluoro-2-N,4-N-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N,4-N-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
PubChem CID80851704
Molecular FormulaC13H16FN5
Molecular Weight261.30 g/mol
Exact Mass261.14
IUPAC Name5-fluoro-2-N,4-N-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(N(C)Cc2cccc(C)n2)n1
InChIInChI=1S/C13H16FN5/c1-9-5-4-6-10(17-9)8-19(3)12-11(14)7-16-13(15-2)18-12/h4-7H,8H2,1-3H3,(H,15,16,18)
InChIKeyBGYPMMPMBBBCJZ-UHFFFAOYSA-N
XLogP2.00
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-2-N,4-N-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-N-ethyl-5-fluoro-2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80851697
5-fluoro-2-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80794294
N-methyl-5-(methylaminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazin-2-amine
CID 107380595
4-N-[(2-fluorophenyl)methyl]-2-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 80794967
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-methylamino]propan-2-ol
CID 80827352
5-fluoro-4-N-(2-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80817456
4-N,4-N-diethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80767009
5-(2-aminoethyl)-4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 66904637
5-fluoro-2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80899397
6-fluoro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 115417200
4-N-benzyl-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80753808
5-fluoro-4-N-[(2-fluorophenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80777771

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N,4-N-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N,4-N-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine (CID 80851704) is 5-fluoro-2-N,4-N-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N,4-N-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N,4-N-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine is CNc1ncc(F)c(N(C)Cc2cccc(C)n2)n1.
What is the InChIKey of 5-fluoro-2-N,4-N-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is BGYPMMPMBBBCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5/c1-9-5-4-6-10(17-9)8-19(3)12-11(14)7-16-13(15-2)18-12/h4-7H,8H2,1-3H3,(H,15,16,18).
What are the key properties of 5-fluoro-2-N,4-N-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine?
5-fluoro-2-N,4-N-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 261.30 g/mol, XLogP of 2.00, 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-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80851704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).