4-N-benzyl-4-N-ethyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine

C20H21FN4 — CID 112859705

IUPAC4-N-benzyl-4-N-ethyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
SMILESCCN(Cc1ccccc1)c1cc(NCc2ccc(F)cc2)ncn1
InChIInChI=1S/C20H21FN4/c1-2-25(14-17-6-4-3-5-7-17)20-12-19(23-15-24-20)22-13-16-8-10-18(21)11-9-16/h3-12,15H,2,13-14H2,1H3,(H,22,23,24)
InChIKeyGILNRKPTBLWITO-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.25
Rot. Bonds7

About 4-N-benzyl-4-N-ethyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine

4-N-benzyl-4-N-ethyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine (PubChem CID 112859705) has the molecular formula C20H21FN4 and a molecular weight of 336.41 g/mol. Its IUPAC name is 4-N-benzyl-4-N-ethyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-benzyl-4-N-ethyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
PubChem CID112859705
Molecular FormulaC20H21FN4
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name4-N-benzyl-4-N-ethyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
SMILESCCN(Cc1ccccc1)c1cc(NCc2ccc(F)cc2)ncn1
InChIInChI=1S/C20H21FN4/c1-2-25(14-17-6-4-3-5-7-17)20-12-19(23-15-24-20)22-13-16-8-10-18(21)11-9-16/h3-12,15H,2,13-14H2,1H3,(H,22,23,24)
InChIKeyGILNRKPTBLWITO-UHFFFAOYSA-N
XLogP4.25
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzyl-4-N-ethyl-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860053
2-N-benzyl-2-N-ethyl-4-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891362
6-N-benzyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 102080311
3-N-benzyl-3-N-ethyl-5-N-[(4-fluorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112949867
4-N-benzyl-6-N-(2-bromophenyl)-4-N-ethylpyrimidine-4,6-diamine
CID 112860538
4-N,6-N-diethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80809064
4-N-benzyl-4-N-ethyl-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112860466
N-benzyl-6-[(4-fluorophenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109348287
4-N,4-N-diethyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112863444
4-N,6-N-dibenzyl-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 112859420
4-N-ethyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112859221
4-[[6-[benzyl(ethyl)amino]pyrimidin-4-yl]amino]benzonitrile
CID 112860551

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-4-N-ethyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-benzyl-4-N-ethyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine (CID 112859705) is 4-N-benzyl-4-N-ethyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-benzyl-4-N-ethyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-benzyl-4-N-ethyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine is CCN(Cc1ccccc1)c1cc(NCc2ccc(F)cc2)ncn1.
What is the InChIKey of 4-N-benzyl-4-N-ethyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is GILNRKPTBLWITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4/c1-2-25(14-17-6-4-3-5-7-17)20-12-19(23-15-24-20)22-13-16-8-10-18(21)11-9-16/h3-12,15H,2,13-14H2,1H3,(H,22,23,24).
What are the key properties of 4-N-benzyl-4-N-ethyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine?
4-N-benzyl-4-N-ethyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 336.41 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-4-N-ethyl-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112859705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).