4-(2-propoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine

C14H15N5O — CID 104663115

IUPAC4-(2-propoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCCCOc1ccccc1-c1nc(N)nc2[nH]ncc12
InChIInChI=1S/C14H15N5O/c1-2-7-20-11-6-4-3-5-9(11)12-10-8-16-19-13(10)18-14(15)17-12/h3-6,8H,2,7H2,1H3,(H3,15,16,17,18,19)
InChIKeyDNKXXDDYJWNMLW-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.39
Rot. Bonds4

About 4-(2-propoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine

4-(2-propoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 104663115) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-(2-propoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-(2-propoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID104663115
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-(2-propoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCCCOc1ccccc1-c1nc(N)nc2[nH]ncc12
InChIInChI=1S/C14H15N5O/c1-2-7-20-11-6-4-3-5-9(11)12-10-8-16-19-13(10)18-14(15)17-12/h3-6,8H,2,7H2,1H3,(H3,15,16,17,18,19)
InChIKeyDNKXXDDYJWNMLW-UHFFFAOYSA-N
XLogP2.39
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-propoxyphenyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135456702
2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid
CID 54851462
2-amino-N,N,4-trimethyl-6-(2-propoxyphenyl)pyrimidine-5-carboxamide
CID 54851987
4-(2-propoxyphenyl)phthalazin-1-amine
CID 104663111
4-(2-propoxyphenyl)-2H-phthalazine-1-thione
CID 106521565
4-(2-methoxy-3,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 103434577
4-(2-chloro-4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 56706662
2-[3-(2-propoxyphenyl)-1H-pyrazol-5-yl]aniline
CID 54852189
N,5,6-trimethyl-3-(2-propoxyphenyl)pyrazin-2-amine
CID 104663142
2-amino-N-ethyl-4-methyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
CID 54853960
2,4-diamino-6-(2-hexoxyphenyl)pyrimidine-5-carbonitrile
CID 169397618
6-[2-[2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenoxy]ethyl]-1,3,5-triazine-2,4-diamine
CID 139995577

Frequently Asked Questions

What is the IUPAC name of 4-(2-propoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 4-(2-propoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine (CID 104663115) is 4-(2-propoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-(2-propoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-(2-propoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine is CCCOc1ccccc1-c1nc(N)nc2[nH]ncc12.
What is the InChIKey of 4-(2-propoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is DNKXXDDYJWNMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-2-7-20-11-6-4-3-5-9(11)12-10-8-16-19-13(10)18-14(15)17-12/h3-6,8H,2,7H2,1H3,(H3,15,16,17,18,19).
What are the key properties of 4-(2-propoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
4-(2-propoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 269.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 104663115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).