4-N-tert-butyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine

C16H21FN4 — CID 112861294

IUPAC4-N-tert-butyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
SMILESCC(C)(C)Nc1cc(NCCc2ccccc2F)ncn1
InChIInChI=1S/C16H21FN4/c1-16(2,3)21-15-10-14(19-11-20-15)18-9-8-12-6-4-5-7-13(12)17/h4-7,10-11H,8-9H2,1-3H3,(H2,18,19,20,21)
InChIKeyCAQXKYWIYVIJDX-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.48
Rot. Bonds5

About 4-N-tert-butyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine

4-N-tert-butyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine (PubChem CID 112861294) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-N-tert-butyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
PubChem CID112861294
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name4-N-tert-butyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
SMILESCC(C)(C)Nc1cc(NCCc2ccccc2F)ncn1
InChIInChI=1S/C16H21FN4/c1-16(2,3)21-15-10-14(19-11-20-15)18-9-8-12-6-4-5-7-13(12)17/h4-7,10-11H,8-9H2,1-3H3,(H2,18,19,20,21)
InChIKeyCAQXKYWIYVIJDX-UHFFFAOYSA-N
XLogP3.48
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-tert-butyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 61239779
4-N-(2,5-dimethylphenyl)-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861313
4-N-cyclohexyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112856213
N-[2-(2-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66325709
4-N-(4-bromophenyl)-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861329
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861279
6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112861309
6-N-[2-(2-fluorophenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858566
N-[4-[[6-[2-(2-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 112861347
3-N-tert-butyl-5-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112953397
6-[2-(2-fluorophenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109350857
6-N-[2-(2-fluorophenyl)ethyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112861272

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-tert-butyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine (CID 112861294) is 4-N-tert-butyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-tert-butyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-tert-butyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine is CC(C)(C)Nc1cc(NCCc2ccccc2F)ncn1.
What is the InChIKey of 4-N-tert-butyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is CAQXKYWIYVIJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-16(2,3)21-15-10-14(19-11-20-15)18-9-8-12-6-4-5-7-13(12)17/h4-7,10-11H,8-9H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-tert-butyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine?
4-N-tert-butyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 288.37 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112861294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).