4-N-[1-(3-fluorophenyl)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine

C14H17FN4 — CID 64831253

IUPAC4-N-[1-(3-fluorophenyl)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCC(Nc1ccnc(N(C)C)n1)c1cccc(F)c1
InChIInChI=1S/C14H17FN4/c1-10(11-5-4-6-12(15)9-11)17-13-7-8-16-14(18-13)19(2)3/h4-10H,1-3H3,(H,16,17,18)
InChIKeyDJZQZMLOTAVBIG-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.85
Rot. Bonds4

About 4-N-[1-(3-fluorophenyl)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine

4-N-[1-(3-fluorophenyl)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine (PubChem CID 64831253) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-N-[1-(3-fluorophenyl)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(3-fluorophenyl)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
PubChem CID64831253
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name4-N-[1-(3-fluorophenyl)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCC(Nc1ccnc(N(C)C)n1)c1cccc(F)c1
InChIInChI=1S/C14H17FN4/c1-10(11-5-4-6-12(15)9-11)17-13-7-8-16-14(18-13)19(2)3/h4-10H,1-3H3,(H,16,17,18)
InChIKeyDJZQZMLOTAVBIG-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[1-(3-fluorophenyl)ethyl]pyrimidin-4-amine
CID 62342660
4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80801904
1-N-[1-(3-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376525
6-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]pyrazin-2-amine
CID 58869935
N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 60631349
1-[2-[1-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-4-fluorophenyl]piperidin-4-ol
CID 139003399
2-chloro-N-[1-(3-fluorophenyl)ethyl]pyridin-3-amine
CID 43690097
N-[1-(3-fluorophenyl)ethyl]-1,5-dimethylpyrazol-3-amine
CID 113287971
N-[1-(3-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66329975
N-[1-(3-fluorophenyl)ethyl]-2-propan-2-yloxypyridin-3-amine
CID 61374230
2-chloro-6-[1-(3-fluorophenyl)ethylamino]pyridine-4-carbonitrile
CID 83072975
N-[1-(3-fluorophenyl)ethyl]-3-methylquinolin-2-amine
CID 63229227

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(3-fluorophenyl)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(3-fluorophenyl)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine (CID 64831253) is 4-N-[1-(3-fluorophenyl)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(3-fluorophenyl)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(3-fluorophenyl)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine is CC(Nc1ccnc(N(C)C)n1)c1cccc(F)c1.
What is the InChIKey of 4-N-[1-(3-fluorophenyl)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is DJZQZMLOTAVBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-10(11-5-4-6-12(15)9-11)17-13-7-8-16-14(18-13)19(2)3/h4-10H,1-3H3,(H,16,17,18).
What are the key properties of 4-N-[1-(3-fluorophenyl)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
4-N-[1-(3-fluorophenyl)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 260.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(3-fluorophenyl)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 64831253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).