N-(3-methoxy-3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine

C13H23N3O — CID 72855259

IUPACN-(3-methoxy-3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCOC(C)(C)CCNc1cc(C(C)C)ncn1
InChIInChI=1S/C13H23N3O/c1-10(2)11-8-12(16-9-15-11)14-7-6-13(3,4)17-5/h8-10H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyXPHRITLLFFECIR-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.83
Rot. Bonds6

About N-(3-methoxy-3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine

N-(3-methoxy-3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 72855259) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(3-methoxy-3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxy-3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID72855259
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(3-methoxy-3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCOC(C)(C)CCNc1cc(C(C)C)ncn1
InChIInChI=1S/C13H23N3O/c1-10(2)11-8-12(16-9-15-11)14-7-6-13(3,4)17-5/h8-10H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyXPHRITLLFFECIR-UHFFFAOYSA-N
XLogP2.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-6-(tert-butyl)pyrimidine
CID 713744
2,4-Diisobutylamino-6-isopentylpyrimidine
CID 9994500
6-Ethyl-2,4-diisobutylaminopyrimidine
CID 25133613
[2-Isobutoxy-6-(3-methyl-butyl)-pyrimidin-4-yl]-isobutylamine
CID 25129168
N2-dimethyl-N2,N4-diisobutyl-(6-isopentyl-pyrimidin-2,4-yl)-diamine
CID 25131214
6-(Propan-2-yl)pyrimidin-4-amine
CID 21050418
6-Cyclopropylpyrimidin-4-amine
CID 45080491
6-(Cyclopropylmethyl)pyrimidin-4-amine
CID 122238923
N4-methyl-N2,N4-diisobutyl-(6-isopentyl-pyrimidin-2,4-yl)-diamine
CID 25129166
N2,N4,6-triisobutylpyrimidine-2,4-diamine
CID 46880832
N-{[1-(Dimethylamino)cyclopentyl]methyl}-6-isopropylpyrimidin-4-amine
CID 72838664
(1-{[(6-Isopropylpyrimidin-4-YL)amino]methyl}cyclobutyl)methanol
CID 72839408

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(3-methoxy-3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine (CID 72855259) is N-(3-methoxy-3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3-methoxy-3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(3-methoxy-3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine is COC(C)(C)CCNc1cc(C(C)C)ncn1.
What is the InChIKey of N-(3-methoxy-3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is XPHRITLLFFECIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)11-8-12(16-9-15-11)14-7-6-13(3,4)17-5/h8-10H,6-7H2,1-5H3,(H,14,15,16).
What are the key properties of N-(3-methoxy-3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine?
N-(3-methoxy-3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-3-methylbutyl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 72855259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).