4-(3,4-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine

C18H25N3O2 — CID 70810179

IUPAC4-(3,4-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine
SMILESCOc1ccc(-c2cc(C)nc(NCC(C)(C)C)n2)cc1OC
InChIInChI=1S/C18H25N3O2/c1-12-9-14(21-17(20-12)19-11-18(2,3)4)13-7-8-15(22-5)16(10-13)23-6/h7-10H,11H2,1-6H3,(H,19,20,21)
InChIKeyCCNHMGRKMXZQQK-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.93
Rot. Bonds5

About 4-(3,4-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine

4-(3,4-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine (PubChem CID 70810179) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine
PubChem CID70810179
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name4-(3,4-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine
SMILESCOc1ccc(-c2cc(C)nc(NCC(C)(C)C)n2)cc1OC
InChIInChI=1S/C18H25N3O2/c1-12-9-14(21-17(20-12)19-11-18(2,3)4)13-7-8-15(22-5)16(10-13)23-6/h7-10H,11H2,1-6H3,(H,19,20,21)
InChIKeyCCNHMGRKMXZQQK-UHFFFAOYSA-N
XLogP3.93
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 2969423
2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112922789
2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907124
4-N-[(4-chlorophenyl)methyl]-2-N-[(3,4-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917979
N'-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 103278920
4-(3,4-dimethoxyphenyl)-2-methoxy-6-(4-methylphenyl)pyrimidine
CID 2854304
6-N-[2-[[4,6-bis[(3,4-dimethoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethyl]-2-N,4-N-bis[(3,4-dimethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 177395359
2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916090
2-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methoxyethyl)-6-methylpyrimidine-4-carboxamide
CID 109323716
4-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 112922785
4-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2-N-pentylpyrimidine-2,4-diamine
CID 112922720
2-N-butan-2-yl-4-N-[(3,4-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112909090

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine (CID 70810179) is 4-(3,4-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine is COc1ccc(-c2cc(C)nc(NCC(C)(C)C)n2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine?
The InChIKey is CCNHMGRKMXZQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12-9-14(21-17(20-12)19-11-18(2,3)4)13-7-8-15(22-5)16(10-13)23-6/h7-10H,11H2,1-6H3,(H,19,20,21).
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine?
4-(3,4-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine has a molecular weight of 315.42 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 70810179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).