7-[5-(methoxymethyl)pyrrolidin-3-yl]-5-phenylpyrrolo[3,2-d]pyrimidin-4-amine

C18H21N5O — CID 67702236

IUPAC7-[5-(methoxymethyl)pyrrolidin-3-yl]-5-phenylpyrrolo[3,2-d]pyrimidin-4-amine
SMILESCOCC1CC(c2cn(-c3ccccc3)c3c(N)ncnc23)CN1
InChIInChI=1S/C18H21N5O/c1-24-10-13-7-12(8-20-13)15-9-23(14-5-3-2-4-6-14)17-16(15)21-11-22-18(17)19/h2-6,9,11-13,20H,7-8,10H2,1H3,(H2,19,21,22)
InChIKeyKBEYRAOYCNAGIY-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.09
Rot. Bonds4

About 7-[5-(methoxymethyl)pyrrolidin-3-yl]-5-phenylpyrrolo[3,2-d]pyrimidin-4-amine

7-[5-(methoxymethyl)pyrrolidin-3-yl]-5-phenylpyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 67702236) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 7-[5-(methoxymethyl)pyrrolidin-3-yl]-5-phenylpyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[5-(methoxymethyl)pyrrolidin-3-yl]-5-phenylpyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID67702236
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name7-[5-(methoxymethyl)pyrrolidin-3-yl]-5-phenylpyrrolo[3,2-d]pyrimidin-4-amine
SMILESCOCC1CC(c2cn(-c3ccccc3)c3c(N)ncnc23)CN1
InChIInChI=1S/C18H21N5O/c1-24-10-13-7-12(8-20-13)15-9-23(14-5-3-2-4-6-14)17-16(15)21-11-22-18(17)19/h2-6,9,11-13,20H,7-8,10H2,1H3,(H2,19,21,22)
InChIKeyKBEYRAOYCNAGIY-UHFFFAOYSA-N
XLogP2.09
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[5-(methoxymethyl)pyrrolidin-3-yl]-5-phenylpyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 7-[5-(methoxymethyl)pyrrolidin-3-yl]-5-phenylpyrrolo[3,2-d]pyrimidin-4-amine (CID 67702236) is 7-[5-(methoxymethyl)pyrrolidin-3-yl]-5-phenylpyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[5-(methoxymethyl)pyrrolidin-3-yl]-5-phenylpyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 7-[5-(methoxymethyl)pyrrolidin-3-yl]-5-phenylpyrrolo[3,2-d]pyrimidin-4-amine is COCC1CC(c2cn(-c3ccccc3)c3c(N)ncnc23)CN1.
What is the InChIKey of 7-[5-(methoxymethyl)pyrrolidin-3-yl]-5-phenylpyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is KBEYRAOYCNAGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-24-10-13-7-12(8-20-13)15-9-23(14-5-3-2-4-6-14)17-16(15)21-11-22-18(17)19/h2-6,9,11-13,20H,7-8,10H2,1H3,(H2,19,21,22).
What are the key properties of 7-[5-(methoxymethyl)pyrrolidin-3-yl]-5-phenylpyrrolo[3,2-d]pyrimidin-4-amine?
7-[5-(methoxymethyl)pyrrolidin-3-yl]-5-phenylpyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 323.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(methoxymethyl)pyrrolidin-3-yl]-5-phenylpyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 67702236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).