4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)morpholine

C17H18N4O — CID 3087469

IUPAC4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)morpholine
SMILESCc1nc(N2CCOCC2)c2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C17H18N4O/c1-12-18-15-11-14(13-5-3-2-4-6-13)20-16(15)17(19-12)21-7-9-22-10-8-21/h2-6,11,20H,7-10H2,1H3
InChIKeyNKXMCMLNRMDHQV-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.77
Rot. Bonds2

About 4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)morpholine

4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)morpholine (PubChem CID 3087469) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)morpholine
PubChem CID3087469
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)morpholine
SMILESCc1nc(N2CCOCC2)c2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C17H18N4O/c1-12-18-15-11-14(13-5-3-2-4-6-13)20-16(15)17(19-12)21-7-9-22-10-8-21/h2-6,11,20H,7-10H2,1H3
InChIKeyNKXMCMLNRMDHQV-UHFFFAOYSA-N
XLogP2.77
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)morpholine (CID 3087469) is 4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)morpholine is Cc1nc(N2CCOCC2)c2[nH]c(-c3ccccc3)cc2n1.
What is the InChIKey of 4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)morpholine?
The InChIKey is NKXMCMLNRMDHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-12-18-15-11-14(13-5-3-2-4-6-13)20-16(15)17(19-12)21-7-9-22-10-8-21/h2-6,11,20H,7-10H2,1H3.
What are the key properties of 4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)morpholine?
4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)morpholine has a molecular weight of 294.36 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 3087469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).