N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-prop-1-enyl-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

C18H18N8O — CID 123573359

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-prop-1-enyl-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCC=Cc1nc(NCc2noc(C)n2)c2c(ccn2Cc2cnccn2)n1
InChIInChI=1S/C18H18N8O/c1-3-4-15-23-14-5-8-26(11-13-9-19-6-7-20-13)17(14)18(24-15)21-10-16-22-12(2)27-25-16/h3-9H,10-11H2,1-2H3,(H,21,23,24)
InChIKeyPABFIPUMIWXCAO-UHFFFAOYSA-N
MW362.40 g/mol
LogP2.61
Rot. Bonds6

About N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-prop-1-enyl-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-prop-1-enyl-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 123573359) has the molecular formula C18H18N8O and a molecular weight of 362.40 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-prop-1-enyl-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-prop-1-enyl-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID123573359
Molecular FormulaC18H18N8O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-prop-1-enyl-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCC=Cc1nc(NCc2noc(C)n2)c2c(ccn2Cc2cnccn2)n1
InChIInChI=1S/C18H18N8O/c1-3-4-15-23-14-5-8-26(11-13-9-19-6-7-20-13)17(14)18(24-15)21-10-16-22-12(2)27-25-16/h3-9H,10-11H2,1-2H3,(H,21,23,24)
InChIKeyPABFIPUMIWXCAO-UHFFFAOYSA-N
XLogP2.61
TPSA107.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-prop-1-enyl-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

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4-(1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
CID 23646578
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2,2-Dimethyl-3-[(4-{[2-Methyl-1-(Propan-2-Yl)-1h-Imidazo[4,5-C]pyridin-6-Yl]amino}pyrimidin-2-Yl)amino]propanamide
CID 76280903
N-[4-(2-Methylimidazo[1,2-A]pyridin-3-YL)-2-pyrimidinyl]acetamide
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CID 56591424
2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-9-[(1R)-1-(5-fluoro-2-pyridinyl)ethyl]-7H-purin-8-one
CID 67123577
N-[3-[8-anilino-2-[4-(4-methylpiperazin-1-yl)anilino]purin-9-yl]phenyl]prop-2-enamide
CID 148201291
1-[(3S)-3-[8-anilino-2-[4-(4-methylpiperazin-1-yl)anilino]purin-9-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 162356161
4-(4-{[2-{[(3s)-1-Acetylpyrrolidin-3-Yl]amino}-9-(Propan-2-Yl)-9h-Purin-6-Yl]amino}phenyl)-1-Methylpiperazin-1-Ium
CID 124222449

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-prop-1-enyl-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-prop-1-enyl-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (CID 123573359) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-prop-1-enyl-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-prop-1-enyl-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-prop-1-enyl-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is CC=Cc1nc(NCc2noc(C)n2)c2c(ccn2Cc2cnccn2)n1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-prop-1-enyl-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is PABFIPUMIWXCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O/c1-3-4-15-23-14-5-8-26(11-13-9-19-6-7-20-13)17(14)18(24-15)21-10-16-22-12(2)27-25-16/h3-9H,10-11H2,1-2H3,(H,21,23,24).
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-prop-1-enyl-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-prop-1-enyl-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 362.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-prop-1-enyl-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 123573359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).