6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine

C12H22N4O — CID 82458321

IUPAC6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCC(C)COc1nc(CC(C)C)nc(N)c1N
InChIInChI=1S/C12H22N4O/c1-7(2)5-9-15-11(14)10(13)12(16-9)17-6-8(3)4/h7-8H,5-6,13H2,1-4H3,(H2,14,15,16)
InChIKeyHQVJLWUAQWTLRV-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.87
Rot. Bonds5

About 6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine

6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine (PubChem CID 82458321) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
PubChem CID82458321
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCC(C)COc1nc(CC(C)C)nc(N)c1N
InChIInChI=1S/C12H22N4O/c1-7(2)5-9-15-11(14)10(13)12(16-9)17-6-8(3)4/h7-8H,5-6,13H2,1-4H3,(H2,14,15,16)
InChIKeyHQVJLWUAQWTLRV-UHFFFAOYSA-N
XLogP1.87
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455747
4-N-ethyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458307
4-N-cyclopentyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458313
4-N-[2-(dimethylamino)ethyl]-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458314
5-bromo-3-(2-methylpropoxy)pyrazin-2-amine
CID 46942042
2-(methoxymethyl)-6-(2-methylpropoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82458642
6-(2-methylpropoxy)-2-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 82458183
1-[2,5-diamino-6-(2-methylpropoxy)pyrimidin-4-yl]oxyethanol
CID 140746517
4-[(dimethylamino)methoxy]-6-(2-methylpropoxy)pyrimidine-2,5-diamine
CID 118167296
3-(2-methylpropoxy)quinoxalin-2-amine
CID 102987688
2,6-bis(2-methylpropyl)-5-propan-2-ylpyrimidin-4-amine
CID 86054095
4-N-cyclopropyl-6-methoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458201

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine (CID 82458321) is 6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine is CC(C)COc1nc(CC(C)C)nc(N)c1N.
What is the InChIKey of 6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The InChIKey is HQVJLWUAQWTLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-7(2)5-9-15-11(14)10(13)12(16-9)17-6-8(3)4/h7-8H,5-6,13H2,1-4H3,(H2,14,15,16).
What are the key properties of 6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine?
6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82458321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).