6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C14H14ClN5O — CID 107854257

IUPAC6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cccc(CCNc2nc(Cl)nc3[nH]ncc23)c1
InChIInChI=1S/C14H14ClN5O/c1-21-10-4-2-3-9(7-10)5-6-16-12-11-8-17-20-13(11)19-14(15)18-12/h2-4,7-8H,5-6H2,1H3,(H2,16,17,18,19,20)
InChIKeyMLXPIILHEAKSAP-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.67
Rot. Bonds5

About 6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 107854257) has the molecular formula C14H14ClN5O and a molecular weight of 303.75 g/mol. Its IUPAC name is 6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID107854257
Molecular FormulaC14H14ClN5O
Molecular Weight303.75 g/mol
Exact Mass303.09
IUPAC Name6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cccc(CCNc2nc(Cl)nc3[nH]ncc23)c1
InChIInChI=1S/C14H14ClN5O/c1-21-10-4-2-3-9(7-10)5-6-16-12-11-8-17-20-13(11)19-14(15)18-12/h2-4,7-8H,5-6H2,1H3,(H2,16,17,18,19,20)
InChIKeyMLXPIILHEAKSAP-UHFFFAOYSA-N
XLogP2.67
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-[2-(3-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 154628241
6-chloro-4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 107855546
6-chloro-2-N-[2-(3-methoxyphenyl)ethyl]pyridine-2,3-diamine
CID 107845206
5-chloro-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 103738561
2-chloro-N-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320788
2-(3-chlorothiophen-2-yl)-N-[2-(3-methoxyphenyl)ethyl]quinazolin-4-amine
CID 91964581
N-[2-(3-methoxyphenyl)ethyl]furo[3,2-c]pyridin-4-amine
CID 103702656
2-N-[2-(3-methoxyphenyl)ethyl]-4-N-propylquinazoline-2,4-diamine
CID 91966285
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 104861065
2-benzyl-N-[2-(3-methoxyphenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91964678
6-N-[2-(3-methoxyphenyl)ethyl]-2-N-methylpyridine-2,6-diamine
CID 107855522
3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 103741704

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 107854257) is 6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is COc1cccc(CCNc2nc(Cl)nc3[nH]ncc23)c1.
What is the InChIKey of 6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is MLXPIILHEAKSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O/c1-21-10-4-2-3-9(7-10)5-6-16-12-11-8-17-20-13(11)19-14(15)18-12/h2-4,7-8H,5-6H2,1H3,(H2,16,17,18,19,20).
What are the key properties of 6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 303.75 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 107854257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).