3-(4-tert-butyl-6-methoxy-2-methylpyrimidin-5-yl)propan-1-amine

C13H23N3O — CID 105499538

IUPAC3-(4-tert-butyl-6-methoxy-2-methylpyrimidin-5-yl)propan-1-amine
SMILESCOc1nc(C)nc(C(C)(C)C)c1CCCN
InChIInChI=1S/C13H23N3O/c1-9-15-11(13(2,3)4)10(7-6-8-14)12(16-9)17-5/h6-8,14H2,1-5H3
InChIKeyPFZSLNDFDBOUOJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.98
Rot. Bonds4

About 3-(4-tert-butyl-6-methoxy-2-methylpyrimidin-5-yl)propan-1-amine

3-(4-tert-butyl-6-methoxy-2-methylpyrimidin-5-yl)propan-1-amine (PubChem CID 105499538) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-(4-tert-butyl-6-methoxy-2-methylpyrimidin-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-tert-butyl-6-methoxy-2-methylpyrimidin-5-yl)propan-1-amine
PubChem CID105499538
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-(4-tert-butyl-6-methoxy-2-methylpyrimidin-5-yl)propan-1-amine
SMILESCOc1nc(C)nc(C(C)(C)C)c1CCCN
InChIInChI=1S/C13H23N3O/c1-9-15-11(13(2,3)4)10(7-6-8-14)12(16-9)17-5/h6-8,14H2,1-5H3
InChIKeyPFZSLNDFDBOUOJ-UHFFFAOYSA-N
XLogP1.98
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-cyclopropyl-6-methoxy-2-methylpyrimidin-5-yl)propan-1-amine
CID 105477990
(4-ethyl-6-methoxy-2-methylpyrimidin-5-yl)methanamine
CID 82408365
4,6-dimethoxy-2-methylpyrimidin-5-amine
CID 21239200
3-(4-tert-butyl-6-methylpyrimidin-2-yl)propan-1-amine
CID 63318758
6-tert-butyl-N-ethyl-5-iodo-2-methylpyrimidin-4-amine
CID 66299608
(6-methoxy-2,5-dimethylpyrimidin-4-yl)hydrazine
CID 55280081
6-methoxy-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,5-diamine
CID 82455343
(6-tert-butyl-2,5-dimethylpyrimidin-4-yl) methanesulfonate
CID 139386113
3-(4-cyclopentyl-6-methoxypyrimidin-5-yl)propan-1-amine
CID 105496788
6-methoxy-4-N,2-dimethylpyrimidine-4,5-diamine
CID 82455314
3-[10-(3-aminopropyl)-2,3,6,7-tetramethoxyanthracen-9-yl]propan-1-amine;dihydrochloride
CID 10390646
3-(2,3,4,5,6-pentamethylphenyl)propan-1-amine
CID 59138114

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-6-methoxy-2-methylpyrimidin-5-yl)propan-1-amine?
The IUPAC name of 3-(4-tert-butyl-6-methoxy-2-methylpyrimidin-5-yl)propan-1-amine (CID 105499538) is 3-(4-tert-butyl-6-methoxy-2-methylpyrimidin-5-yl)propan-1-amine.
What is the SMILES notation for 3-(4-tert-butyl-6-methoxy-2-methylpyrimidin-5-yl)propan-1-amine?
The canonical SMILES for 3-(4-tert-butyl-6-methoxy-2-methylpyrimidin-5-yl)propan-1-amine is COc1nc(C)nc(C(C)(C)C)c1CCCN.
What is the InChIKey of 3-(4-tert-butyl-6-methoxy-2-methylpyrimidin-5-yl)propan-1-amine?
The InChIKey is PFZSLNDFDBOUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9-15-11(13(2,3)4)10(7-6-8-14)12(16-9)17-5/h6-8,14H2,1-5H3.
What are the key properties of 3-(4-tert-butyl-6-methoxy-2-methylpyrimidin-5-yl)propan-1-amine?
3-(4-tert-butyl-6-methoxy-2-methylpyrimidin-5-yl)propan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-6-methoxy-2-methylpyrimidin-5-yl)propan-1-amine is sourced from PubChem (CID 105499538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).