2-tert-butyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine

C19H24FN5O — CID 133412053

IUPAC2-tert-butyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(NCCc2nc3ccc(F)cc3[nH]2)nc(C(C)(C)C)n1
InChIInChI=1S/C19H24FN5O/c1-19(2,3)18-22-13(11-26-4)10-17(25-18)21-8-7-16-23-14-6-5-12(20)9-15(14)24-16/h5-6,9-10H,7-8,11H2,1-4H3,(H,23,24)(H,21,22,25)
InChIKeyFJVVIOIISAVSLE-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.59
Rot. Bonds6

About 2-tert-butyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine

2-tert-butyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 133412053) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-tert-butyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID133412053
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC Name2-tert-butyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(NCCc2nc3ccc(F)cc3[nH]2)nc(C(C)(C)C)n1
InChIInChI=1S/C19H24FN5O/c1-19(2,3)18-22-13(11-26-4)10-17(25-18)21-8-7-16-23-14-6-5-12(20)9-15(14)24-16/h5-6,9-10H,7-8,11H2,1-4H3,(H,23,24)(H,21,22,25)
InChIKeyFJVVIOIISAVSLE-UHFFFAOYSA-N
XLogP3.59
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine 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-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline
CID 54924340
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-amine
CID 137335411
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-methoxypropan-1-amine
CID 82336781
2-tert-butyl-N-(2,2-difluoroethyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 133402707
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133378510
2-tert-butyl-6-(methoxymethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 133400520
6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 133378556
6-(3-aminocyclobutyl)-4-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 91763057
2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-2-(4-fluorophenyl)acetamide
CID 133476224
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine
CID 65017857

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine (CID 133412053) is 2-tert-butyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine is COCc1cc(NCCc2nc3ccc(F)cc3[nH]2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is FJVVIOIISAVSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-19(2,3)18-22-13(11-26-4)10-17(25-18)21-8-7-16-23-14-6-5-12(20)9-15(14)24-16/h5-6,9-10H,7-8,11H2,1-4H3,(H,23,24)(H,21,22,25).
What are the key properties of 2-tert-butyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine?
2-tert-butyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 357.43 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 133412053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).