N-(3,5-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine

C21H23N3O5 — CID 10272121

IUPACN-(3,5-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(-c3cc(OC)c(OC)c(OC)c3)n2)cc(OC)c1
InChIInChI=1S/C21H23N3O5/c1-25-15-10-14(11-16(12-15)26-2)23-21-22-7-6-17(24-21)13-8-18(27-3)20(29-5)19(9-13)28-4/h6-12H,1-5H3,(H,22,23,24)
InChIKeyRRZYFGJNORBVQA-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.93
Rot. Bonds8

About N-(3,5-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine

N-(3,5-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine (PubChem CID 10272121) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
PubChem CID10272121
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC NameN-(3,5-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(-c3cc(OC)c(OC)c(OC)c3)n2)cc(OC)c1
InChIInChI=1S/C21H23N3O5/c1-25-15-10-14(11-16(12-15)26-2)23-21-22-7-6-17(24-21)13-8-18(27-3)20(29-5)19(9-13)28-4/h6-12H,1-5H3,(H,22,23,24)
InChIKeyRRZYFGJNORBVQA-UHFFFAOYSA-N
XLogP3.93
TPSA83.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-chloro-3-pyridinyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 10177326
4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]phenol
CID 135815278
N-(3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 10275222
4-[6-(dimethylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 69231092
N-(3,5-dimethoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 25169255
4-N-[(4-methoxyphenyl)methyl]-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112892502
5-[2-(3,4-dimethoxy-5-methylanilino)pyrimidin-4-yl]-2-methoxybenzonitrile
CID 173047408
5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 87365127
N-(3-methoxyphenyl)-4-thiophen-3-ylpyrimidin-2-amine
CID 14347056
4-(1-benzofuran-3-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 171354201
N-methylmethanamine;4-[6-(1-methylpiperazin-1-ium-1-yl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 18545621
N-(4-methoxyphenyl)-4-(1-methylpyridin-1-ium-4-yl)pyrimidin-2-amine iodide
CID 14722187

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine (CID 10272121) is N-(3,5-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine is COc1cc(Nc2nccc(-c3cc(OC)c(OC)c(OC)c3)n2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
The InChIKey is RRZYFGJNORBVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-25-15-10-14(11-16(12-15)26-2)23-21-22-7-6-17(24-21)13-8-18(27-3)20(29-5)19(9-13)28-4/h6-12H,1-5H3,(H,22,23,24).
What are the key properties of N-(3,5-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
N-(3,5-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine has a molecular weight of 397.43 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 10272121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).