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

C14H17FN4 — CID 80794294

IUPAC5-fluoro-2-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(N(C)Cc2ccccc2C)n1
InChIInChI=1S/C14H17FN4/c1-10-6-4-5-7-11(10)9-19(3)13-12(15)8-17-14(16-2)18-13/h4-8H,9H2,1-3H3,(H,16,17,18)
InChIKeyNMMUXJZUEXRVBB-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.60
Rot. Bonds4

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

5-fluoro-2-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 80794294) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 5-fluoro-2-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID80794294
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name5-fluoro-2-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(N(C)Cc2ccccc2C)n1
InChIInChI=1S/C14H17FN4/c1-10-6-4-5-7-11(10)9-19(3)13-12(15)8-17-14(16-2)18-13/h4-8H,9H2,1-3H3,(H,16,17,18)
InChIKeyNMMUXJZUEXRVBB-UHFFFAOYSA-N
XLogP2.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80899397
4-N-[(2-fluorophenyl)methyl]-2-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 80794967
5-fluoro-2-N,4-N-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80851704
5-fluoro-4-N-[(2-fluorophenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80777771
5-fluoro-2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 80896455
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
4-N-benzyl-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80753808
4-N-ethyl-5-fluoro-2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80851697
1-N,2-N,3-trimethyl-2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 144839096
2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103332540

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine (CID 80794294) is 5-fluoro-2-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine is CNc1ncc(F)c(N(C)Cc2ccccc2C)n1.
What is the InChIKey of 5-fluoro-2-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is NMMUXJZUEXRVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-10-6-4-5-7-11(10)9-19(3)13-12(15)8-17-14(16-2)18-13/h4-8H,9H2,1-3H3,(H,16,17,18).
What are the key properties of 5-fluoro-2-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine?
5-fluoro-2-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 260.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80794294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).