5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine

C19H20N4O2 — CID 11450525

IUPAC5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(Cc2cnc(N)nc2N)cc1OCc1ccccc1
InChIInChI=1S/C19H20N4O2/c1-24-16-8-7-14(9-15-11-22-19(21)23-18(15)20)10-17(16)25-12-13-5-3-2-4-6-13/h2-8,10-11H,9,12H2,1H3,(H4,20,21,22,23)
InChIKeyXARRNBRDTOCYPU-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.82
Rot. Bonds6

About 5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine

5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 11450525) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID11450525
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(Cc2cnc(N)nc2N)cc1OCc1ccccc1
InChIInChI=1S/C19H20N4O2/c1-24-16-8-7-14(9-15-11-22-19(21)23-18(15)20)10-17(16)25-12-13-5-3-2-4-6-13/h2-8,10-11H,9,12H2,1H3,(H4,20,21,22,23)
InChIKeyXARRNBRDTOCYPU-UHFFFAOYSA-N
XLogP2.82
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 11450525) is 5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine is COc1ccc(Cc2cnc(N)nc2N)cc1OCc1ccccc1.
What is the InChIKey of 5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is XARRNBRDTOCYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-24-16-8-7-14(9-15-11-22-19(21)23-18(15)20)10-17(16)25-12-13-5-3-2-4-6-13/h2-8,10-11H,9,12H2,1H3,(H4,20,21,22,23).
What are the key properties of 5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine?
5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 336.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 11450525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).