6-butan-2-yloxy-2-tert-butyl-5-methyl-N-propylpyrimidin-4-amine

C16H29N3O — CID 80988066

IUPAC6-butan-2-yloxy-2-tert-butyl-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)(C)C)nc(OC(C)CC)c1C
InChIInChI=1S/C16H29N3O/c1-8-10-17-13-12(4)14(20-11(3)9-2)19-15(18-13)16(5,6)7/h11H,8-10H2,1-7H3,(H,17,18,19)
InChIKeyLNIUMKQGDJJOGZ-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.08
Rot. Bonds6

About 6-butan-2-yloxy-2-tert-butyl-5-methyl-N-propylpyrimidin-4-amine

6-butan-2-yloxy-2-tert-butyl-5-methyl-N-propylpyrimidin-4-amine (PubChem CID 80988066) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 6-butan-2-yloxy-2-tert-butyl-5-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-butan-2-yloxy-2-tert-butyl-5-methyl-N-propylpyrimidin-4-amine
PubChem CID80988066
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name6-butan-2-yloxy-2-tert-butyl-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)(C)C)nc(OC(C)CC)c1C
InChIInChI=1S/C16H29N3O/c1-8-10-17-13-12(4)14(20-11(3)9-2)19-15(18-13)16(5,6)7/h11H,8-10H2,1-7H3,(H,17,18,19)
InChIKeyLNIUMKQGDJJOGZ-UHFFFAOYSA-N
XLogP4.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-butan-2-yloxy-2-tert-butyl-5-methyl-N-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-butan-2-yloxy-2-tert-butyl-N,5-dimethylpyrimidin-4-amine
CID 80988606
2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 103491535
6-butan-2-yloxy-5-methyl-N-propylpyrimidin-4-amine
CID 80866287
2-tert-butyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 80977294
5-methyl-6-pentan-2-yloxy-N,2-dipropylpyrimidin-4-amine
CID 102989455
5-methyl-6-(4-methylpentan-2-yloxy)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80989175
2-tert-butyl-5-methyl-4-N-pentyl-6-N-propylpyrimidine-4,6-diamine
CID 80982152
2-tert-butyl-4-N-(2,2-dimethylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80987650
3-[2-tert-butyl-5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772853
5-methyl-6-(4-methylpentan-2-yloxy)-N,2-dipropylpyrimidin-4-amine
CID 80989176
2-tert-butyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
CID 80989428
6-butan-2-yloxy-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80987958

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yloxy-2-tert-butyl-5-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-butan-2-yloxy-2-tert-butyl-5-methyl-N-propylpyrimidin-4-amine (CID 80988066) is 6-butan-2-yloxy-2-tert-butyl-5-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-butan-2-yloxy-2-tert-butyl-5-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-butan-2-yloxy-2-tert-butyl-5-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(C(C)(C)C)nc(OC(C)CC)c1C.
What is the InChIKey of 6-butan-2-yloxy-2-tert-butyl-5-methyl-N-propylpyrimidin-4-amine?
The InChIKey is LNIUMKQGDJJOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-8-10-17-13-12(4)14(20-11(3)9-2)19-15(18-13)16(5,6)7/h11H,8-10H2,1-7H3,(H,17,18,19).
What are the key properties of 6-butan-2-yloxy-2-tert-butyl-5-methyl-N-propylpyrimidin-4-amine?
6-butan-2-yloxy-2-tert-butyl-5-methyl-N-propylpyrimidin-4-amine has a molecular weight of 279.43 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yloxy-2-tert-butyl-5-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80988066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).