N-methyl-5-propan-2-yl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine

C17H29N3O — CID 80842984

IUPACN-methyl-5-propan-2-yl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine
SMILESCNc1ncnc(OC2CC(C)CC(C)(C)C2)c1C(C)C
InChIInChI=1S/C17H29N3O/c1-11(2)14-15(18-6)19-10-20-16(14)21-13-7-12(3)8-17(4,5)9-13/h10-13H,7-9H2,1-6H3,(H,18,19,20)
InChIKeyWQDKGHUIIMSMJX-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.24
Rot. Bonds4

About N-methyl-5-propan-2-yl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine

N-methyl-5-propan-2-yl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine (PubChem CID 80842984) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-methyl-5-propan-2-yl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-5-propan-2-yl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine
PubChem CID80842984
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-methyl-5-propan-2-yl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine
SMILESCNc1ncnc(OC2CC(C)CC(C)(C)C2)c1C(C)C
InChIInChI=1S/C17H29N3O/c1-11(2)14-15(18-6)19-10-20-16(14)21-13-7-12(3)8-17(4,5)9-13/h10-13H,7-9H2,1-6H3,(H,18,19,20)
InChIKeyWQDKGHUIIMSMJX-UHFFFAOYSA-N
XLogP4.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,5-dimethylcyclohexyl)oxy-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80878317
5-methyl-N-propyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine
CID 80843080
2-ethyl-N,5-dimethyl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine
CID 80988665
5-fluoro-N-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-2-amine
CID 80860916
[4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-5-yl]methanol
CID 114215282
N-methyl-6-(2-methylpropoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80860283
6-N-methyl-4-N-(4-methylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80772693
[6-(3-methoxycyclohexyl)oxy-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80925378
(1S)-1-[5-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]ethanamine
CID 83123915
[3,5-dichloro-6-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]hydrazine
CID 102762705
[5-methyl-4-(3,3,5-trimethylcyclohexyl)oxypyrimidin-2-yl]hydrazine
CID 80909017
N-methyl-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine
CID 80874958

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propan-2-yl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine?
The IUPAC name of N-methyl-5-propan-2-yl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine (CID 80842984) is N-methyl-5-propan-2-yl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine.
What is the SMILES notation for N-methyl-5-propan-2-yl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine?
The canonical SMILES for N-methyl-5-propan-2-yl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine is CNc1ncnc(OC2CC(C)CC(C)(C)C2)c1C(C)C.
What is the InChIKey of N-methyl-5-propan-2-yl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine?
The InChIKey is WQDKGHUIIMSMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-11(2)14-15(18-6)19-10-20-16(14)21-13-7-12(3)8-17(4,5)9-13/h10-13H,7-9H2,1-6H3,(H,18,19,20).
What are the key properties of N-methyl-5-propan-2-yl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine?
N-methyl-5-propan-2-yl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propan-2-yl-6-(3,3,5-trimethylcyclohexyl)oxypyrimidin-4-amine is sourced from PubChem (CID 80842984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).