N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;hydrochloride

C13H13ClN4O — CID 12843607

IUPACN-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCOc1ccc(Nc2ncnc3cc[nH]c23)cc1.Cl
InChIInChI=1S/C13H12N4O.ClH/c1-18-10-4-2-9(3-5-10)17-13-12-11(6-7-14-12)15-8-16-13;/h2-8,14H,1H3,(H,15,16,17);1H
InChIKeyAOOBWDRCWUBZQL-UHFFFAOYSA-N
MW276.73 g/mol
LogP3.13
Rot. Bonds3

About N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;hydrochloride

N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;hydrochloride (PubChem CID 12843607) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;hydrochloride
PubChem CID12843607
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC NameN-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;hydrochloride
SMILESCOc1ccc(Nc2ncnc3cc[nH]c23)cc1.Cl
InChIInChI=1S/C13H12N4O.ClH/c1-18-10-4-2-9(3-5-10)17-13-12-11(6-7-14-12)15-8-16-13;/h2-8,14H,1H3,(H,15,16,17);1H
InChIKeyAOOBWDRCWUBZQL-UHFFFAOYSA-N
XLogP3.13
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;prop-1-ene
CID 143477774
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
N-(4-methoxyphenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 71188369
4-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19137145
N-[3-chloro-4-(1H-indazol-6-yloxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 141211598
N-[3-chloro-4-(3-chlorophenoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 56851430
N-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)acetamide
CID 141390191
N-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 66554700
4-N-(4-methoxyphenyl)-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 23486954
5-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80760040
5-iodo-N-(4-methoxyphenyl)pyrimidin-4-amine
CID 66341469
6-N-(4-methoxyphenyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 19149157

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;hydrochloride (CID 12843607) is N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;hydrochloride is COc1ccc(Nc2ncnc3cc[nH]c23)cc1.Cl.
What is the InChIKey of N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is AOOBWDRCWUBZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O.ClH/c1-18-10-4-2-9(3-5-10)17-13-12-11(6-7-14-12)15-8-16-13;/h2-8,14H,1H3,(H,15,16,17);1H.
What are the key properties of N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;hydrochloride?
N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 276.73 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 12843607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).