4-N-tert-butyl-6-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine

C17H23ClN4O — CID 112876003

IUPAC4-N-tert-butyl-6-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCOc1cc(Cl)c(C)cc1Nc1cc(NC(C)(C)C)nc(C)n1
InChIInChI=1S/C17H23ClN4O/c1-10-7-13(14(23-6)8-12(10)18)21-15-9-16(20-11(2)19-15)22-17(3,4)5/h7-9H,1-6H3,(H2,19,20,21,22)
InChIKeySKDHDLMNOOEFLR-UHFFFAOYSA-N
MW334.85 g/mol
LogP4.71
Rot. Bonds4

About 4-N-tert-butyl-6-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine

4-N-tert-butyl-6-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 112876003) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 4-N-tert-butyl-6-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-6-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
PubChem CID112876003
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name4-N-tert-butyl-6-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCOc1cc(Cl)c(C)cc1Nc1cc(NC(C)(C)C)nc(C)n1
InChIInChI=1S/C17H23ClN4O/c1-10-7-13(14(23-6)8-12(10)18)21-15-9-16(20-11(2)19-15)22-17(3,4)5/h7-9H,1-6H3,(H2,19,20,21,22)
InChIKeySKDHDLMNOOEFLR-UHFFFAOYSA-N
XLogP4.71
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-6-methylpyrimidin-4-amine
CID 55080744
6-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N,2-dimethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112877212
N-butan-2-yl-6-(4-chloro-2-methoxy-5-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 109362679
4-N-tert-butyl-6-N-(3,5-dichlorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112875999
6-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)pyridin-2-amine
CID 63963848
4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877853
6-(4-chloro-2-methoxy-5-methylanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846689
4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-thiazol-2-amine
CID 83152214
4-N-tert-butyl-6-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112875919
N-(4-chloro-2-methoxy-5-methylphenyl)-1,4-dimethylimidazol-2-amine
CID 106556111
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylpyridine-2,5-diamine
CID 79021315
4-N-(4-chloro-2-methoxy-5-methylphenyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 112857539

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-6-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-tert-butyl-6-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine (CID 112876003) is 4-N-tert-butyl-6-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-tert-butyl-6-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-tert-butyl-6-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine is COc1cc(Cl)c(C)cc1Nc1cc(NC(C)(C)C)nc(C)n1.
What is the InChIKey of 4-N-tert-butyl-6-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is SKDHDLMNOOEFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O/c1-10-7-13(14(23-6)8-12(10)18)21-15-9-16(20-11(2)19-15)22-17(3,4)5/h7-9H,1-6H3,(H2,19,20,21,22).
What are the key properties of 4-N-tert-butyl-6-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine?
4-N-tert-butyl-6-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 334.85 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-6-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112876003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).