(6-methoxy-2-propan-2-ylpyrimidin-4-yl)methanamine

C9H15N3O — CID 83851901

IUPAC(6-methoxy-2-propan-2-ylpyrimidin-4-yl)methanamine
SMILESCOc1cc(CN)nc(C(C)C)n1
InChIInChI=1S/C9H15N3O/c1-6(2)9-11-7(5-10)4-8(12-9)13-3/h4,6H,5,10H2,1-3H3
InChIKeyUBPMPBGVJCUMTB-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.07
Rot. Bonds3

About (6-methoxy-2-propan-2-ylpyrimidin-4-yl)methanamine

(6-methoxy-2-propan-2-ylpyrimidin-4-yl)methanamine (PubChem CID 83851901) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (6-methoxy-2-propan-2-ylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name(6-methoxy-2-propan-2-ylpyrimidin-4-yl)methanamine
PubChem CID83851901
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(6-methoxy-2-propan-2-ylpyrimidin-4-yl)methanamine
SMILESCOc1cc(CN)nc(C(C)C)n1
InChIInChI=1S/C9H15N3O/c1-6(2)9-11-7(5-10)4-8(12-9)13-3/h4,6H,5,10H2,1-3H3
InChIKeyUBPMPBGVJCUMTB-UHFFFAOYSA-N
XLogP1.07
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-methoxy-2-propan-2-ylpyrimidin-4-yl)propan-1-amine
CID 83884578
2-(6-methoxy-2-propan-2-ylpyrimidin-4-yl)acetaldehyde
CID 83878785
(2-bromo-6-methoxypyrimidin-4-yl)methanamine
CID 83852368
[4-(difluoromethyl)-6-methoxy-2-pyridinyl]methanamine
CID 118820122
[6-methoxy-2-(4-methylphenyl)pyrimidin-4-yl]methanamine
CID 83864402
1-[4-[(2-fluorophenyl)methyl]-6-methoxypyrimidin-2-yl]ethanamine
CID 82666098
3-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpropan-1-amine
CID 83847571
(2-cyclopentyl-6-methoxypyrimidin-4-yl)methanamine
CID 83852183
4-(2-aminoethyl)-6-methoxypyrimidin-2-amine
CID 83851816
2-(6-bromo-2-propan-2-ylpyrimidin-4-yl)ethanamine
CID 83852748
(6-ethyl-2-methoxypyrimidin-4-yl)methanamine
CID 83851807
[methoxy-(6-methoxy-2-propan-2-ylpyrimidin-4-yl)oxyphosphoryl]methanethial
CID 18927901

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-2-propan-2-ylpyrimidin-4-yl)methanamine?
The IUPAC name of (6-methoxy-2-propan-2-ylpyrimidin-4-yl)methanamine (CID 83851901) is (6-methoxy-2-propan-2-ylpyrimidin-4-yl)methanamine.
What is the SMILES notation for (6-methoxy-2-propan-2-ylpyrimidin-4-yl)methanamine?
The canonical SMILES for (6-methoxy-2-propan-2-ylpyrimidin-4-yl)methanamine is COc1cc(CN)nc(C(C)C)n1.
What is the InChIKey of (6-methoxy-2-propan-2-ylpyrimidin-4-yl)methanamine?
The InChIKey is UBPMPBGVJCUMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6(2)9-11-7(5-10)4-8(12-9)13-3/h4,6H,5,10H2,1-3H3.
What are the key properties of (6-methoxy-2-propan-2-ylpyrimidin-4-yl)methanamine?
(6-methoxy-2-propan-2-ylpyrimidin-4-yl)methanamine has a molecular weight of 181.24 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-2-propan-2-ylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 83851901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).