(4-methoxypyrimidin-2-yl)methanamine

C6H9N3O — CID 59569974

IUPAC(4-methoxypyrimidin-2-yl)methanamine
SMILESCOc1ccnc(CN)n1
InChIInChI=1S/C6H9N3O/c1-10-6-2-3-8-5(4-7)9-6/h2-3H,4,7H2,1H3
InChIKeyNDBSWKMPQRFLQA-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.06
Rot. Bonds2

About (4-methoxypyrimidin-2-yl)methanamine

(4-methoxypyrimidin-2-yl)methanamine (PubChem CID 59569974) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is (4-methoxypyrimidin-2-yl)methanamine.

Molecular Properties

Compound Name(4-methoxypyrimidin-2-yl)methanamine
PubChem CID59569974
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name(4-methoxypyrimidin-2-yl)methanamine
SMILESCOc1ccnc(CN)n1
InChIInChI=1S/C6H9N3O/c1-10-6-2-3-8-5(4-7)9-6/h2-3H,4,7H2,1H3
InChIKeyNDBSWKMPQRFLQA-UHFFFAOYSA-N
XLogP-0.06
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxypyrimidin-2-yl)methanamine?
The IUPAC name of (4-methoxypyrimidin-2-yl)methanamine (CID 59569974) is (4-methoxypyrimidin-2-yl)methanamine.
What is the SMILES notation for (4-methoxypyrimidin-2-yl)methanamine?
The canonical SMILES for (4-methoxypyrimidin-2-yl)methanamine is COc1ccnc(CN)n1.
What is the InChIKey of (4-methoxypyrimidin-2-yl)methanamine?
The InChIKey is NDBSWKMPQRFLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-10-6-2-3-8-5(4-7)9-6/h2-3H,4,7H2,1H3.
What are the key properties of (4-methoxypyrimidin-2-yl)methanamine?
(4-methoxypyrimidin-2-yl)methanamine has a molecular weight of 139.16 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypyrimidin-2-yl)methanamine is sourced from PubChem (CID 59569974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).