N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazol-1-ylpyrimidin-4-amine

C16H19N7O — CID 134139906

IUPACN-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazol-1-ylpyrimidin-4-amine
SMILESCN(C)CCOc1ccc(Nc2cc(-n3ccnc3)ncn2)nc1
InChIInChI=1S/C16H19N7O/c1-22(2)7-8-24-13-3-4-14(18-10-13)21-15-9-16(20-11-19-15)23-6-5-17-12-23/h3-6,9-12H,7-8H2,1-2H3,(H,18,19,20,21)
InChIKeyPKZBARFMXVRZEC-UHFFFAOYSA-N
MW325.38 g/mol
LogP1.74
Rot. Bonds7

About N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazol-1-ylpyrimidin-4-amine

N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazol-1-ylpyrimidin-4-amine (PubChem CID 134139906) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazol-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazol-1-ylpyrimidin-4-amine
PubChem CID134139906
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC NameN-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazol-1-ylpyrimidin-4-amine
SMILESCN(C)CCOc1ccc(Nc2cc(-n3ccnc3)ncn2)nc1
InChIInChI=1S/C16H19N7O/c1-22(2)7-8-24-13-3-4-14(18-10-13)21-15-9-16(20-11-19-15)23-6-5-17-12-23/h3-6,9-12H,7-8H2,1-2H3,(H,18,19,20,21)
InChIKeyPKZBARFMXVRZEC-UHFFFAOYSA-N
XLogP1.74
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(3-Ethoxy-pyridin-2-yl)-pyridin-2-yl-amine
CID 11321863
6-(6-(difluorometh-oxy)imidazo[1,2-a]-pyridin-3-yl)-N-((3S, 4S)-4-fluoropyrrolidin-3-yl)pyridin-2-amine
CID 163603259
N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(6-methoxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
CID 163752818
6-(Benzimidazol-1-Yl)-N-[5-[3-(Dimethylamino)propoxy]pyridin-2-Yl]pyrimidin-4-Amine
CID 76871873
3-(5-ethoxy-2-pyridinyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 71520979
4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 44578538
(3-Ethoxy-pyridin-2-yl)-(6-methoxy-pyridin-2-yl)-amine
CID 11149253
(3-Ethoxy-pyridin-2-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11368190
3-ethoxy-N-(6-methylpyridin-2-yl)-5-(pyridin-3-yloxy)pyridin-2-amine
CID 11381681
N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 14722195
6-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-N-piperidin-4-ylpyridin-2-amine
CID 25169380
N2-(3,5-dimorpholinophenyl)-N4-(5-methoxypyridin-3-yl)-N4-methylpyrimidine-2,4-diamine
CID 42645478

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazol-1-ylpyrimidin-4-amine?
The IUPAC name of N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazol-1-ylpyrimidin-4-amine (CID 134139906) is N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazol-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazol-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazol-1-ylpyrimidin-4-amine is CN(C)CCOc1ccc(Nc2cc(-n3ccnc3)ncn2)nc1.
What is the InChIKey of N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazol-1-ylpyrimidin-4-amine?
The InChIKey is PKZBARFMXVRZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-22(2)7-8-24-13-3-4-14(18-10-13)21-15-9-16(20-11-19-15)23-6-5-17-12-23/h3-6,9-12H,7-8H2,1-2H3,(H,18,19,20,21).
What are the key properties of N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazol-1-ylpyrimidin-4-amine?
N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazol-1-ylpyrimidin-4-amine has a molecular weight of 325.38 g/mol, XLogP of 1.74, 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-imidazol-1-ylpyrimidin-4-amine is sourced from PubChem (CID 134139906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).