6-(4-methoxyphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine

C19H28N4O2 — CID 19141072

IUPAC6-(4-methoxyphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCOc1ccc(Oc2ncnc(N(CC(C)C)CC(C)C)c2N)cc1
InChIInChI=1S/C19H28N4O2/c1-13(2)10-23(11-14(3)4)18-17(20)19(22-12-21-18)25-16-8-6-15(24-5)7-9-16/h6-9,12-14H,10-11,20H2,1-5H3
InChIKeyVWXGHVJBMMQMAB-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.98
Rot. Bonds8

About 6-(4-methoxyphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine

6-(4-methoxyphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine (PubChem CID 19141072) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 6-(4-methoxyphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-methoxyphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine
PubChem CID19141072
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name6-(4-methoxyphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCOc1ccc(Oc2ncnc(N(CC(C)C)CC(C)C)c2N)cc1
InChIInChI=1S/C19H28N4O2/c1-13(2)10-23(11-14(3)4)18-17(20)19(22-12-21-18)25-16-8-6-15(24-5)7-9-16/h6-9,12-14H,10-11,20H2,1-5H3
InChIKeyVWXGHVJBMMQMAB-UHFFFAOYSA-N
XLogP3.98
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,4-dimethylphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine
CID 19141067
2-[[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol
CID 19141235
4-(4-ethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 19154279
4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19137086
4-(3,5-dimethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 22540861
4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543636
6-N,6-N-dimethyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19136904
4-(4-butan-2-ylphenoxy)-6-methoxypyrimidin-5-amine
CID 107663693
4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine
CID 146236231
2-[[5-amino-6-(4-methylphenoxy)pyrimidin-4-yl]-ethylamino]ethanol
CID 19141185
6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870116
6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19134997

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(4-methoxyphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine (CID 19141072) is 6-(4-methoxyphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-methoxyphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-methoxyphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine is COc1ccc(Oc2ncnc(N(CC(C)C)CC(C)C)c2N)cc1.
What is the InChIKey of 6-(4-methoxyphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine?
The InChIKey is VWXGHVJBMMQMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-13(2)10-23(11-14(3)4)18-17(20)19(22-12-21-18)25-16-8-6-15(24-5)7-9-16/h6-9,12-14H,10-11,20H2,1-5H3.
What are the key properties of 6-(4-methoxyphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine?
6-(4-methoxyphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine has a molecular weight of 344.46 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19141072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).