N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine

C20H19FN6 — CID 133349441

IUPACN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCc1nc(-c2cccnc2)nc(NCCc2nc3ccc(F)cc3[nH]2)c1C
InChIInChI=1S/C20H19FN6/c1-12-13(2)24-20(14-4-3-8-22-11-14)27-19(12)23-9-7-18-25-16-6-5-15(21)10-17(16)26-18/h3-6,8,10-11H,7,9H2,1-2H3,(H,25,26)(H,23,24,27)
InChIKeyAXUGWDAPZVDIBX-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.83
Rot. Bonds5

About N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine

N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 133349441) has the molecular formula C20H19FN6 and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID133349441
Molecular FormulaC20H19FN6
Molecular Weight362.41 g/mol
Exact Mass362.17
IUPAC NameN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCc1nc(-c2cccnc2)nc(NCCc2nc3ccc(F)cc3[nH]2)c1C
InChIInChI=1S/C20H19FN6/c1-12-13(2)24-20(14-4-3-8-22-11-14)27-19(12)23-9-7-18-25-16-6-5-15(21)10-17(16)26-18/h3-6,8,10-11H,7,9H2,1-2H3,(H,25,26)(H,23,24,27)
InChIKeyAXUGWDAPZVDIBX-UHFFFAOYSA-N
XLogP3.83
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline
CID 54924340
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-4-pyridin-3-ylpyrimidin-2-amine
CID 72852948
N-(cyclopropylmethyl)-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133334209
6-fluoro-N-(2-pyridin-3-ylethyl)-1H-benzimidazol-2-amine
CID 103294739
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-propan-2-ylquinazolin-4-amine
CID 167828623
N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9311182
N-[2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 133316513
4,5,6-trimethyl-2-pyridin-3-ylpyrimidine
CID 157011344
6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 133378556
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-7H-purin-6-amine
CID 39801917
4-chloro-N-[2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 133334322

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine (CID 133349441) is N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine is Cc1nc(-c2cccnc2)nc(NCCc2nc3ccc(F)cc3[nH]2)c1C.
What is the InChIKey of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is AXUGWDAPZVDIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6/c1-12-13(2)24-20(14-4-3-8-22-11-14)27-19(12)23-9-7-18-25-16-6-5-15(21)10-17(16)26-18/h3-6,8,10-11H,7,9H2,1-2H3,(H,25,26)(H,23,24,27).
What are the key properties of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine?
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 362.41 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 133349441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).