6-tert-butyl-N-(3-methoxyphenyl)-2-pyridin-2-ylpyrimidin-4-amine

C20H22N4O — CID 70695604

IUPAC6-tert-butyl-N-(3-methoxyphenyl)-2-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1cccc(Nc2cc(C(C)(C)C)nc(-c3ccccn3)n2)c1
InChIInChI=1S/C20H22N4O/c1-20(2,3)17-13-18(22-14-8-7-9-15(12-14)25-4)24-19(23-17)16-10-5-6-11-21-16/h5-13H,1-4H3,(H,22,23,24)
InChIKeyFZHDNIUGIOPXEN-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.59
Rot. Bonds4

About 6-tert-butyl-N-(3-methoxyphenyl)-2-pyridin-2-ylpyrimidin-4-amine

6-tert-butyl-N-(3-methoxyphenyl)-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 70695604) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 6-tert-butyl-N-(3-methoxyphenyl)-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-(3-methoxyphenyl)-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID70695604
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name6-tert-butyl-N-(3-methoxyphenyl)-2-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1cccc(Nc2cc(C(C)(C)C)nc(-c3ccccn3)n2)c1
InChIInChI=1S/C20H22N4O/c1-20(2,3)17-13-18(22-14-8-7-9-15(12-14)25-4)24-19(23-17)16-10-5-6-11-21-16/h5-13H,1-4H3,(H,22,23,24)
InChIKeyFZHDNIUGIOPXEN-UHFFFAOYSA-N
XLogP4.59
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dichlorophenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 2730488
5-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 56584890
3-[(6-tert-butyl-2-pyridin-2-ylpyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 67513119
6-N-(3-methoxyphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 22543892
6-tert-butyl-2-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 62192683
N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133315898
3-[[6-(3-methoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113193145
4-N-(3-methoxyphenyl)-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879665
4-N-(3-methoxyphenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916560
N-(2-tert-butylphenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109177158
6-N-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112880900
N-[2-(3-methoxyanilino)-4-pyridinyl]hydroxylamine
CID 170189455

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-(3-methoxyphenyl)-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-N-(3-methoxyphenyl)-2-pyridin-2-ylpyrimidin-4-amine (CID 70695604) is 6-tert-butyl-N-(3-methoxyphenyl)-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-N-(3-methoxyphenyl)-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-N-(3-methoxyphenyl)-2-pyridin-2-ylpyrimidin-4-amine is COc1cccc(Nc2cc(C(C)(C)C)nc(-c3ccccn3)n2)c1.
What is the InChIKey of 6-tert-butyl-N-(3-methoxyphenyl)-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is FZHDNIUGIOPXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-20(2,3)17-13-18(22-14-8-7-9-15(12-14)25-4)24-19(23-17)16-10-5-6-11-21-16/h5-13H,1-4H3,(H,22,23,24).
What are the key properties of 6-tert-butyl-N-(3-methoxyphenyl)-2-pyridin-2-ylpyrimidin-4-amine?
6-tert-butyl-N-(3-methoxyphenyl)-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 334.42 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-(3-methoxyphenyl)-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 70695604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).