6-(3,4-dimethylphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine

C20H30N4O — CID 19141067

IUPAC6-(3,4-dimethylphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCc1ccc(Oc2ncnc(N(CC(C)C)CC(C)C)c2N)cc1C
InChIInChI=1S/C20H30N4O/c1-13(2)10-24(11-14(3)4)19-18(21)20(23-12-22-19)25-17-8-7-15(5)16(6)9-17/h7-9,12-14H,10-11,21H2,1-6H3
InChIKeyYFVOGPWTMPGPDA-UHFFFAOYSA-N
MW342.49 g/mol
LogP4.59
Rot. Bonds7

About 6-(3,4-dimethylphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine

6-(3,4-dimethylphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine (PubChem CID 19141067) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 6-(3,4-dimethylphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(3,4-dimethylphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine
PubChem CID19141067
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name6-(3,4-dimethylphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCc1ccc(Oc2ncnc(N(CC(C)C)CC(C)C)c2N)cc1C
InChIInChI=1S/C20H30N4O/c1-13(2)10-24(11-14(3)4)19-18(21)20(23-12-22-19)25-17-8-7-15(5)16(6)9-17/h7-9,12-14H,10-11,21H2,1-6H3
InChIKeyYFVOGPWTMPGPDA-UHFFFAOYSA-N
XLogP4.59
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methoxyphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine
CID 19141072
4-(4-chloro-3,5-dimethylphenoxy)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
CID 19153202
methyl 4-[5-amino-6-(3,4-dimethylphenoxy)pyrimidin-4-yl]oxybenzoate
CID 22544861
4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19137086
6-(3,4-dimethylphenoxy)-4-N-(2-ethylphenyl)pyrimidine-4,5-diamine
CID 22544216
4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543636
4-N-(5-chloro-2-methylphenyl)-6-(3,4-dimethylphenoxy)pyrimidine-4,5-diamine
CID 22547350
6-N,6-N-dimethyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19136904
6-(3,4-dimethylphenoxy)-4-N-(4-iodophenyl)pyrimidine-4,5-diamine
CID 19148973
2-[[5-amino-6-(4-methylphenoxy)pyrimidin-4-yl]-ethylamino]ethanol
CID 19141185
4-(3,4-dimethylphenoxy)-6-(2-ethylpiperidin-1-yl)pyrimidin-5-amine
CID 19140572
6-N-(2,4-dimethylphenyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19140933

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(3,4-dimethylphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine (CID 19141067) is 6-(3,4-dimethylphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(3,4-dimethylphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(3,4-dimethylphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine is Cc1ccc(Oc2ncnc(N(CC(C)C)CC(C)C)c2N)cc1C.
What is the InChIKey of 6-(3,4-dimethylphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine?
The InChIKey is YFVOGPWTMPGPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-13(2)10-24(11-14(3)4)19-18(21)20(23-12-22-19)25-17-8-7-15(5)16(6)9-17/h7-9,12-14H,10-11,21H2,1-6H3.
What are the key properties of 6-(3,4-dimethylphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine?
6-(3,4-dimethylphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine has a molecular weight of 342.49 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19141067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).