5-methyl-N-propyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine

C17H29N3O — CID 80843080

IUPAC5-methyl-N-propyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine
SMILESCCCNc1ncnc(OC2CC(C)CC(C)(C)C2)c1C
InChIInChI=1S/C17H29N3O/c1-6-7-18-15-13(3)16(20-11-19-15)21-14-8-12(2)9-17(4,5)10-14/h11-12,14H,6-10H2,1-5H3,(H,18,19,20)
InChIKeyNYCOUNUQJDXFTB-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.20
Rot. Bonds5

About 5-methyl-N-propyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine

5-methyl-N-propyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine (PubChem CID 80843080) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 5-methyl-N-propyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-N-propyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine
PubChem CID80843080
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name5-methyl-N-propyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine
SMILESCCCNc1ncnc(OC2CC(C)CC(C)(C)C2)c1C
InChIInChI=1S/C17H29N3O/c1-6-7-18-15-13(3)16(20-11-19-15)21-14-8-12(2)9-17(4,5)10-14/h11-12,14H,6-10H2,1-5H3,(H,18,19,20)
InChIKeyNYCOUNUQJDXFTB-UHFFFAOYSA-N
XLogP4.20
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-6-(1-methylpiperidin-4-yl)oxy-N-propylpyrimidin-4-amine
CID 80873812
N-methyl-5-propan-2-yl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine
CID 80842984
6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211
5-ethyl-6-(4-methylcyclohexyl)oxy-N-propylpyrimidin-4-amine
CID 80858878
2-ethyl-N,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine
CID 80988665
[4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-5-yl]methanol
CID 114215282
5-methyl-6-pentoxy-N-propylpyrimidin-4-amine
CID 80866591
6-butan-2-yloxy-5-methyl-N-propylpyrimidin-4-amine
CID 80866287
6-(3,5-dimethylcyclohexyl)oxy-N-ethyl-5-propylpyrimidin-4-amine
CID 80871703
6-cycloheptyloxy-5-ethyl-N-propylpyrimidin-4-amine
CID 80871776
[6-(4,4-dimethylcyclohexyl)oxy-5-methylpyrimidin-4-yl]hydrazine
CID 114343031
N-hexyl-6-methoxy-5-methylpyrimidin-4-amine
CID 66325235

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine?
The IUPAC name of 5-methyl-N-propyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine (CID 80843080) is 5-methyl-N-propyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine.
What is the SMILES notation for 5-methyl-N-propyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine?
The canonical SMILES for 5-methyl-N-propyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine is CCCNc1ncnc(OC2CC(C)CC(C)(C)C2)c1C.
What is the InChIKey of 5-methyl-N-propyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine?
The InChIKey is NYCOUNUQJDXFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-6-7-18-15-13(3)16(20-11-19-15)21-14-8-12(2)9-17(4,5)10-14/h11-12,14H,6-10H2,1-5H3,(H,18,19,20).
What are the key properties of 5-methyl-N-propyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine?
5-methyl-N-propyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine is sourced from PubChem (CID 80843080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).