4-[[4-(methoxymethyl)phenyl]methoxy]-7-methylpyrrolo[2,3-d]pyrimidin-2-amine

C16H18N4O2 — CID 176574895

IUPAC4-[[4-(methoxymethyl)phenyl]methoxy]-7-methylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOCc1ccc(COc2nc(N)nc3c2ccn3C)cc1
InChIInChI=1S/C16H18N4O2/c1-20-8-7-13-14(20)18-16(17)19-15(13)22-10-12-5-3-11(4-6-12)9-21-2/h3-8H,9-10H2,1-2H3,(H2,17,18,19)
InChIKeyMIMSUSKIYUXWJP-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.28
Rot. Bonds5

About 4-[[4-(methoxymethyl)phenyl]methoxy]-7-methylpyrrolo[2,3-d]pyrimidin-2-amine

4-[[4-(methoxymethyl)phenyl]methoxy]-7-methylpyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 176574895) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-[[4-(methoxymethyl)phenyl]methoxy]-7-methylpyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[[4-(methoxymethyl)phenyl]methoxy]-7-methylpyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID176574895
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name4-[[4-(methoxymethyl)phenyl]methoxy]-7-methylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOCc1ccc(COc2nc(N)nc3c2ccn3C)cc1
InChIInChI=1S/C16H18N4O2/c1-20-8-7-13-14(20)18-16(17)19-15(13)22-10-12-5-3-11(4-6-12)9-21-2/h3-8H,9-10H2,1-2H3,(H2,17,18,19)
InChIKeyMIMSUSKIYUXWJP-UHFFFAOYSA-N
XLogP2.28
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(methoxymethyl)phenyl]methoxy]-7-methylpyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-[[4-(methoxymethyl)phenyl]methoxy]-7-methylpyrrolo[2,3-d]pyrimidin-2-amine (CID 176574895) is 4-[[4-(methoxymethyl)phenyl]methoxy]-7-methylpyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[[4-(methoxymethyl)phenyl]methoxy]-7-methylpyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-[[4-(methoxymethyl)phenyl]methoxy]-7-methylpyrrolo[2,3-d]pyrimidin-2-amine is COCc1ccc(COc2nc(N)nc3c2ccn3C)cc1.
What is the InChIKey of 4-[[4-(methoxymethyl)phenyl]methoxy]-7-methylpyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is MIMSUSKIYUXWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-20-8-7-13-14(20)18-16(17)19-15(13)22-10-12-5-3-11(4-6-12)9-21-2/h3-8H,9-10H2,1-2H3,(H2,17,18,19).
What are the key properties of 4-[[4-(methoxymethyl)phenyl]methoxy]-7-methylpyrrolo[2,3-d]pyrimidin-2-amine?
4-[[4-(methoxymethyl)phenyl]methoxy]-7-methylpyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 298.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(methoxymethyl)phenyl]methoxy]-7-methylpyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 176574895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).