N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-(6-methylbenzimidazol-1-yl)pyrimidin-4-amine

C21H23N7O — CID 134151279

IUPACN-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-(6-methylbenzimidazol-1-yl)pyrimidin-4-amine
SMILESCc1ccc2ncn(-c3cc(Nc4ccc(OCCN(C)C)cn4)ncn3)c2c1
InChIInChI=1S/C21H23N7O/c1-15-4-6-17-18(10-15)28(14-25-17)21-11-20(23-13-24-21)26-19-7-5-16(12-22-19)29-9-8-27(2)3/h4-7,10-14H,8-9H2,1-3H3,(H,22,23,24,26)
InChIKeyHRGRQFYTVDLKEE-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.20
Rot. Bonds7

About N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-(6-methylbenzimidazol-1-yl)pyrimidin-4-amine

N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-(6-methylbenzimidazol-1-yl)pyrimidin-4-amine (PubChem CID 134151279) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-(6-methylbenzimidazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-(6-methylbenzimidazol-1-yl)pyrimidin-4-amine
PubChem CID134151279
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC NameN-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-(6-methylbenzimidazol-1-yl)pyrimidin-4-amine
SMILESCc1ccc2ncn(-c3cc(Nc4ccc(OCCN(C)C)cn4)ncn3)c2c1
InChIInChI=1S/C21H23N7O/c1-15-4-6-17-18(10-15)28(14-25-17)21-11-20(23-13-24-21)26-19-7-5-16(12-22-19)29-9-8-27(2)3/h4-7,10-14H,8-9H2,1-3H3,(H,22,23,24,26)
InChIKeyHRGRQFYTVDLKEE-UHFFFAOYSA-N
XLogP3.20
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-(6-methylbenzimidazol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-(6-methylbenzimidazol-1-yl)pyrimidin-4-amine (CID 134151279) is N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-(6-methylbenzimidazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-(6-methylbenzimidazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-(6-methylbenzimidazol-1-yl)pyrimidin-4-amine is Cc1ccc2ncn(-c3cc(Nc4ccc(OCCN(C)C)cn4)ncn3)c2c1.
What is the InChIKey of N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-(6-methylbenzimidazol-1-yl)pyrimidin-4-amine?
The InChIKey is HRGRQFYTVDLKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-15-4-6-17-18(10-15)28(14-25-17)21-11-20(23-13-24-21)26-19-7-5-16(12-22-19)29-9-8-27(2)3/h4-7,10-14H,8-9H2,1-3H3,(H,22,23,24,26).
What are the key properties of N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-(6-methylbenzimidazol-1-yl)pyrimidin-4-amine?
N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-(6-methylbenzimidazol-1-yl)pyrimidin-4-amine has a molecular weight of 389.46 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-(6-methylbenzimidazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 134151279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).