4-chloro-5H-pyrrolo[3,2-d]pyrimidine;4-methoxy-5H-pyrrolo[3,2-d]pyrimidine

C13H11ClN6O — CID 158692635

IUPAC4-chloro-5H-pyrrolo[3,2-d]pyrimidine;4-methoxy-5H-pyrrolo[3,2-d]pyrimidine
SMILESCOc1ncnc2cc[nH]c12.Clc1ncnc2cc[nH]c12
InChIInChI=1S/C7H7N3O.C6H4ClN3/c1-11-7-6-5(2-3-8-6)9-4-10-7;7-6-5-4(1-2-8-5)9-3-10-6/h2-4,8H,1H3;1-3,8H
InChIKeyIGNVLABXENPBHN-UHFFFAOYSA-N
MW302.73 g/mol
LogP2.58
Rot. Bonds1

About 4-chloro-5H-pyrrolo[3,2-d]pyrimidine;4-methoxy-5H-pyrrolo[3,2-d]pyrimidine

4-chloro-5H-pyrrolo[3,2-d]pyrimidine;4-methoxy-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 158692635) has the molecular formula C13H11ClN6O and a molecular weight of 302.73 g/mol. Its IUPAC name is 4-chloro-5H-pyrrolo[3,2-d]pyrimidine;4-methoxy-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5H-pyrrolo[3,2-d]pyrimidine;4-methoxy-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID158692635
Molecular FormulaC13H11ClN6O
Molecular Weight302.73 g/mol
Exact Mass302.07
IUPAC Name4-chloro-5H-pyrrolo[3,2-d]pyrimidine;4-methoxy-5H-pyrrolo[3,2-d]pyrimidine
SMILESCOc1ncnc2cc[nH]c12.Clc1ncnc2cc[nH]c12
InChIInChI=1S/C7H7N3O.C6H4ClN3/c1-11-7-6-5(2-3-8-6)9-4-10-7;7-6-5-4(1-2-8-5)9-3-10-6/h2-4,8H,1H3;1-3,8H
InChIKeyIGNVLABXENPBHN-UHFFFAOYSA-N
XLogP2.58
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.73
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-5H-pyrrolo[3,2-d]pyrimidine;4-methoxy-5H-pyrrolo[3,2-d]pyrimidine with MolForge

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Related Compounds

ethane;4-methyl-5H-pyrrolo[3,2-d]pyrimidine
CID 143935779
N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;hydrochloride
CID 12843607
4-chloro-6-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidine
CID 86084758
2-cyclopropyl-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine
CID 11651289
N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;prop-1-ene
CID 143477774
N-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)acetamide
CID 141390191
5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155786251
4,6-dichloro-5-methoxypyrimidine;ethane
CID 144589632
7-bromo-6-methoxy-1H-pyrrolo[3,2-c]pyridine
CID 53399660
ethane;7-methyl-1H-pyrrolo[3,2-b]pyridine
CID 143910334
4-(7-methoxy-1H-pyrrolo[2,3-c]pyridin-4-yl)aniline
CID 167525947
N-benzyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine;N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;N-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 159372491

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5H-pyrrolo[3,2-d]pyrimidine;4-methoxy-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-5H-pyrrolo[3,2-d]pyrimidine;4-methoxy-5H-pyrrolo[3,2-d]pyrimidine (CID 158692635) is 4-chloro-5H-pyrrolo[3,2-d]pyrimidine;4-methoxy-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-5H-pyrrolo[3,2-d]pyrimidine;4-methoxy-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-5H-pyrrolo[3,2-d]pyrimidine;4-methoxy-5H-pyrrolo[3,2-d]pyrimidine is COc1ncnc2cc[nH]c12.Clc1ncnc2cc[nH]c12.
What is the InChIKey of 4-chloro-5H-pyrrolo[3,2-d]pyrimidine;4-methoxy-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is IGNVLABXENPBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O.C6H4ClN3/c1-11-7-6-5(2-3-8-6)9-4-10-7;7-6-5-4(1-2-8-5)9-3-10-6/h2-4,8H,1H3;1-3,8H.
What are the key properties of 4-chloro-5H-pyrrolo[3,2-d]pyrimidine;4-methoxy-5H-pyrrolo[3,2-d]pyrimidine?
4-chloro-5H-pyrrolo[3,2-d]pyrimidine;4-methoxy-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 302.73 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5H-pyrrolo[3,2-d]pyrimidine;4-methoxy-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 158692635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).