2,4-dichloro-N-[(4-methoxyphenyl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine

C14H12Cl2N4O — CID 167063828

IUPAC2,4-dichloro-N-[(4-methoxyphenyl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESCOc1ccc(CNc2cc3nc(Cl)nc(Cl)c3[nH]2)cc1
InChIInChI=1S/C14H12Cl2N4O/c1-21-9-4-2-8(3-5-9)7-17-11-6-10-12(19-11)13(15)20-14(16)18-10/h2-6,17,19H,7H2,1H3
InChIKeyBWKPBYCZPDZGOX-UHFFFAOYSA-N
MW323.18 g/mol
LogP3.89
Rot. Bonds4

About 2,4-dichloro-N-[(4-methoxyphenyl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine

2,4-dichloro-N-[(4-methoxyphenyl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine (PubChem CID 167063828) has the molecular formula C14H12Cl2N4O and a molecular weight of 323.18 g/mol. Its IUPAC name is 2,4-dichloro-N-[(4-methoxyphenyl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine.

Molecular Properties

Compound Name2,4-dichloro-N-[(4-methoxyphenyl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine
PubChem CID167063828
Molecular FormulaC14H12Cl2N4O
Molecular Weight323.18 g/mol
Exact Mass322.04
IUPAC Name2,4-dichloro-N-[(4-methoxyphenyl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESCOc1ccc(CNc2cc3nc(Cl)nc(Cl)c3[nH]2)cc1
InChIInChI=1S/C14H12Cl2N4O/c1-21-9-4-2-8(3-5-9)7-17-11-6-10-12(19-11)13(15)20-14(16)18-10/h2-6,17,19H,7H2,1H3
InChIKeyBWKPBYCZPDZGOX-UHFFFAOYSA-N
XLogP3.89
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methoxymethyl)-6-[(4-methoxyphenyl)methylamino]-1H-pyrimidine-4-thione
CID 82457482
3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline
CID 23994439
6-[(4-methoxyphenyl)methylamino]-2-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 82457676
3-[(4-methoxyphenyl)methylamino]-2H-isoquinolin-1-one
CID 16727391
3-chloro-6-[(4-methoxyphenyl)methylamino]pyridazine-4-carbaldehyde
CID 121245197
2-[2,4-dichloro-6-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]acetic acid
CID 88922199
4-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]aniline
CID 43347330
5-chloro-N-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine
CID 90902051
6-chloro-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767088
2-chloro-N-[(4-methoxyphenyl)methyl]pteridin-4-amine
CID 82459612
2,6-dichloro-4-fluoro-N-[(4-methoxyphenyl)methyl]aniline
CID 83077206
3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 29285859

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(4-methoxyphenyl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The IUPAC name of 2,4-dichloro-N-[(4-methoxyphenyl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine (CID 167063828) is 2,4-dichloro-N-[(4-methoxyphenyl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine.
What is the SMILES notation for 2,4-dichloro-N-[(4-methoxyphenyl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The canonical SMILES for 2,4-dichloro-N-[(4-methoxyphenyl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine is COc1ccc(CNc2cc3nc(Cl)nc(Cl)c3[nH]2)cc1.
What is the InChIKey of 2,4-dichloro-N-[(4-methoxyphenyl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
The InChIKey is BWKPBYCZPDZGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O/c1-21-9-4-2-8(3-5-9)7-17-11-6-10-12(19-11)13(15)20-14(16)18-10/h2-6,17,19H,7H2,1H3.
What are the key properties of 2,4-dichloro-N-[(4-methoxyphenyl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine?
2,4-dichloro-N-[(4-methoxyphenyl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine has a molecular weight of 323.18 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(4-methoxyphenyl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-6-amine is sourced from PubChem (CID 167063828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).