4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine

C15H15N9O — CID 118335026

IUPAC4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
SMILESCc1nc(CNc2nc(N)nc3ccn(Cc4cnccn4)c23)no1
InChIInChI=1S/C15H15N9O/c1-9-20-12(23-25-9)7-19-14-13-11(21-15(16)22-14)2-5-24(13)8-10-6-17-3-4-18-10/h2-6H,7-8H2,1H3,(H3,16,19,21,22)
InChIKeyBDEVYHUVIYWZLD-UHFFFAOYSA-N
MW337.35 g/mol
LogP1.16
Rot. Bonds5

About 4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine

4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine (PubChem CID 118335026) has the molecular formula C15H15N9O and a molecular weight of 337.35 g/mol. Its IUPAC name is 4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
PubChem CID118335026
Molecular FormulaC15H15N9O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
SMILESCc1nc(CNc2nc(N)nc3ccn(Cc4cnccn4)c23)no1
InChIInChI=1S/C15H15N9O/c1-9-20-12(23-25-9)7-19-14-13-11(21-15(16)22-14)2-5-24(13)8-10-6-17-3-4-18-10/h2-6H,7-8H2,1H3,(H3,16,19,21,22)
InChIKeyBDEVYHUVIYWZLD-UHFFFAOYSA-N
XLogP1.16
TPSA133.46 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
CID 126585795
[4-[[5-amino-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-3-methylphenyl]methanol
CID 170252108
4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-4,5-diamine
CID 106392946
4-methyl-2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,3-diamine
CID 106393081
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 106413859
3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
CID 103748375
5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 102677497
3-methyl-7-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 175800458
5-[[2-methyl-4-[[3-(methylamino)azetidin-1-yl]methyl]phenyl]methyl]-4-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 167553208
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazine-2-carboxylic acid
CID 106409530
6-methyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyrimidine-2,4-diamine
CID 106411590
5-[(3-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
CID 161103375

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine (CID 118335026) is 4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine is Cc1nc(CNc2nc(N)nc3ccn(Cc4cnccn4)c23)no1.
What is the InChIKey of 4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is BDEVYHUVIYWZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N9O/c1-9-20-12(23-25-9)7-19-14-13-11(21-15(16)22-14)2-5-24(13)8-10-6-17-3-4-18-10/h2-6H,7-8H2,1H3,(H3,16,19,21,22).
What are the key properties of 4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 337.35 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 118335026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).