6-(3-methylbutan-2-yloxy)-5-propylpyrimidin-4-amine

C12H21N3O — CID 80882277

IUPAC6-(3-methylbutan-2-yloxy)-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1OC(C)C(C)C
InChIInChI=1S/C12H21N3O/c1-5-6-10-11(13)14-7-15-12(10)16-9(4)8(2)3/h7-9H,5-6H2,1-4H3,(H2,13,14,15)
InChIKeySXKDSYUVOJSIOO-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.43
Rot. Bonds5

About 6-(3-methylbutan-2-yloxy)-5-propylpyrimidin-4-amine

6-(3-methylbutan-2-yloxy)-5-propylpyrimidin-4-amine (PubChem CID 80882277) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 6-(3-methylbutan-2-yloxy)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methylbutan-2-yloxy)-5-propylpyrimidin-4-amine
PubChem CID80882277
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name6-(3-methylbutan-2-yloxy)-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1OC(C)C(C)C
InChIInChI=1S/C12H21N3O/c1-5-6-10-11(13)14-7-15-12(10)16-9(4)8(2)3/h7-9H,5-6H2,1-4H3,(H2,13,14,15)
InChIKeySXKDSYUVOJSIOO-UHFFFAOYSA-N
XLogP2.43
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3-methylbutan-2-yloxy)-5-propylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-methylbutan-2-yloxy)-N,5-dipropylpyrimidin-4-amine
CID 80882614
5-ethyl-6-pentan-2-yloxypyrimidin-4-amine
CID 102989268
[5-ethyl-6-(3-methylbutan-2-yloxy)pyrimidin-4-yl]hydrazine
CID 80922712
4-N-(2-methoxypropyl)-5-propylpyrimidine-4,6-diamine
CID 102701914
6-[2-(diethylamino)ethoxy]-5-propylpyrimidin-4-amine
CID 80870423
5-propyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880474
6-(4-bromophenoxy)-5-propylpyrimidin-4-amine
CID 80864434
6-(2-cyclopropylethoxy)-5-propylpyrimidin-4-amine
CID 106207430
6-(2-iodophenoxy)-5-propylpyrimidin-4-amine
CID 80875866
6-(4-bromo-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 107727376
6-[2-(3-methoxypropoxy)ethoxy]-5-propylpyrimidin-4-amine
CID 103176433
6-(2,3-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 80864705

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutan-2-yloxy)-5-propylpyrimidin-4-amine?
The IUPAC name of 6-(3-methylbutan-2-yloxy)-5-propylpyrimidin-4-amine (CID 80882277) is 6-(3-methylbutan-2-yloxy)-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-methylbutan-2-yloxy)-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3-methylbutan-2-yloxy)-5-propylpyrimidin-4-amine is CCCc1c(N)ncnc1OC(C)C(C)C.
What is the InChIKey of 6-(3-methylbutan-2-yloxy)-5-propylpyrimidin-4-amine?
The InChIKey is SXKDSYUVOJSIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-6-10-11(13)14-7-15-12(10)16-9(4)8(2)3/h7-9H,5-6H2,1-4H3,(H2,13,14,15).
What are the key properties of 6-(3-methylbutan-2-yloxy)-5-propylpyrimidin-4-amine?
6-(3-methylbutan-2-yloxy)-5-propylpyrimidin-4-amine has a molecular weight of 223.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutan-2-yloxy)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80882277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).