5-[(4-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine

C17H16ClN7O — CID 118334995

IUPAC5-[(4-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
SMILESCc1cc(CNc2nc(N)nc3ccn(Cc4cc(Cl)ccn4)c23)no1
InChIInChI=1S/C17H16ClN7O/c1-10-6-12(24-26-10)8-21-16-15-14(22-17(19)23-16)3-5-25(15)9-13-7-11(18)2-4-20-13/h2-7H,8-9H2,1H3,(H3,19,21,22,23)
InChIKeyBXXYGTWHLNOZTQ-UHFFFAOYSA-N
MW369.82 g/mol
LogP3.02
Rot. Bonds5

About 5-[(4-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine

5-[(4-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine (PubChem CID 118334995) has the molecular formula C17H16ClN7O and a molecular weight of 369.82 g/mol. Its IUPAC name is 5-[(4-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(4-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
PubChem CID118334995
Molecular FormulaC17H16ClN7O
Molecular Weight369.82 g/mol
Exact Mass369.11
IUPAC Name5-[(4-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
SMILESCc1cc(CNc2nc(N)nc3ccn(Cc4cc(Cl)ccn4)c23)no1
InChIInChI=1S/C17H16ClN7O/c1-10-6-12(24-26-10)8-21-16-15-14(22-17(19)23-16)3-5-25(15)9-13-7-11(18)2-4-20-13/h2-7H,8-9H2,1H3,(H3,19,21,22,23)
InChIKeyBXXYGTWHLNOZTQ-UHFFFAOYSA-N
XLogP3.02
TPSA107.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.82
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[(4-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

CID 117887024
CID 117887024
CID 153534231
CID 153534231
CID 70789751
CID 70789751
CID 25151778
CID 25151778
CID 71455744
CID 71455744
CID 117887098
CID 117887098
CID 117887511
CID 117887511
CID 117887700
CID 117887700
CID 118334971
CID 118334971
CID 118334974
CID 118334974
CID 118334975
CID 118334975
CID 118334976
CID 118334976

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(4-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine (CID 118334995) is 5-[(4-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(4-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(4-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine is Cc1cc(CNc2nc(N)nc3ccn(Cc4cc(Cl)ccn4)c23)no1.
What is the InChIKey of 5-[(4-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is BXXYGTWHLNOZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN7O/c1-10-6-12(24-26-10)8-21-16-15-14(22-17(19)23-16)3-5-25(15)9-13-7-11(18)2-4-20-13/h2-7H,8-9H2,1H3,(H3,19,21,22,23).
What are the key properties of 5-[(4-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine?
5-[(4-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 369.82 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 118334995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).