6-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine

C12H14N4O2 — CID 80866364

IUPAC6-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine
SMILESCOc1ccc(COc2cc(N)nc(N)n2)cc1
InChIInChI=1S/C12H14N4O2/c1-17-9-4-2-8(3-5-9)7-18-11-6-10(13)15-12(14)16-11/h2-6H,7H2,1H3,(H4,13,14,15,16)
InChIKeyVHXVBYKGASDKAT-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.23
Rot. Bonds4

About 6-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine

6-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine (PubChem CID 80866364) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine
PubChem CID80866364
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name6-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine
SMILESCOc1ccc(COc2cc(N)nc(N)n2)cc1
InChIInChI=1S/C12H14N4O2/c1-17-9-4-2-8(3-5-9)7-18-11-6-10(13)15-12(14)16-11/h2-6H,7H2,1H3,(H4,13,14,15,16)
InChIKeyVHXVBYKGASDKAT-UHFFFAOYSA-N
XLogP1.23
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine?
The IUPAC name of 6-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine (CID 80866364) is 6-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine is COc1ccc(COc2cc(N)nc(N)n2)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine?
The InChIKey is VHXVBYKGASDKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-17-9-4-2-8(3-5-9)7-18-11-6-10(13)15-12(14)16-11/h2-6H,7H2,1H3,(H4,13,14,15,16).
What are the key properties of 6-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine?
6-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine has a molecular weight of 246.27 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methoxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 80866364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).