4-[6-(dimethylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine

C20H23N5O3 — CID 69231092

IUPAC4-[6-(dimethylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(-c3ccc(N(C)C)nc3)n2)cc(OC)c1OC
InChIInChI=1S/C20H23N5O3/c1-25(2)18-7-6-13(12-22-18)15-8-9-21-20(24-15)23-14-10-16(26-3)19(28-5)17(11-14)27-4/h6-12H,1-5H3,(H,21,23,24)
InChIKeyHNPUUVVVXUCEOD-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.37
Rot. Bonds7

About 4-[6-(dimethylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine

4-[6-(dimethylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine (PubChem CID 69231092) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-[6-(dimethylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-(dimethylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
PubChem CID69231092
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name4-[6-(dimethylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(-c3ccc(N(C)C)nc3)n2)cc(OC)c1OC
InChIInChI=1S/C20H23N5O3/c1-25(2)18-7-6-13(12-22-18)15-8-9-21-20(24-15)23-14-10-16(26-3)19(28-5)17(11-14)27-4/h6-12H,1-5H3,(H,21,23,24)
InChIKeyHNPUUVVVXUCEOD-UHFFFAOYSA-N
XLogP3.37
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]phenol
CID 135815278
N-(3,5-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 10272121
N-methylmethanamine;4-[6-(1-methylpiperazin-1-ium-1-yl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 18545621
N-(6-chloro-3-pyridinyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 10177326
4-N-methyl-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112902093
5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 87365127
5-[2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]-2-methoxybenzonitrile
CID 173047408
[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]urea
CID 151561300
4-N-[(4-methoxyphenyl)methyl]-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112892502
4-(1-benzofuran-3-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 171354201
4-[6-(dimethylamino)-3-pyridinyl]-N-[3-fluoro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrimidin-2-amine
CID 68985183
N-(3-ethyl-4,5-dimethoxyphenyl)-4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine
CID 142616294

Frequently Asked Questions

What is the IUPAC name of 4-[6-(dimethylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-[6-(dimethylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine (CID 69231092) is 4-[6-(dimethylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[6-(dimethylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[6-(dimethylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine is COc1cc(Nc2nccc(-c3ccc(N(C)C)nc3)n2)cc(OC)c1OC.
What is the InChIKey of 4-[6-(dimethylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
The InChIKey is HNPUUVVVXUCEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-25(2)18-7-6-13(12-22-18)15-8-9-21-20(24-15)23-14-10-16(26-3)19(28-5)17(11-14)27-4/h6-12H,1-5H3,(H,21,23,24).
What are the key properties of 4-[6-(dimethylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
4-[6-(dimethylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine has a molecular weight of 381.44 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(dimethylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 69231092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).