N-(3-methoxycyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C18H21N5O — CID 133399449

IUPACN-(3-methoxycyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOC1CCCC(Nc2ncnc3c2cnn3-c2ccccc2)C1
InChIInChI=1S/C18H21N5O/c1-24-15-9-5-6-13(10-15)22-17-16-11-21-23(18(16)20-12-19-17)14-7-3-2-4-8-14/h2-4,7-8,11-13,15H,5-6,9-10H2,1H3,(H,19,20,22)
InChIKeySMMNCIDCQJPQSR-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.18
Rot. Bonds4

About N-(3-methoxycyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

N-(3-methoxycyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 133399449) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(3-methoxycyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxycyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID133399449
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-(3-methoxycyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOC1CCCC(Nc2ncnc3c2cnn3-c2ccccc2)C1
InChIInChI=1S/C18H21N5O/c1-24-15-9-5-6-13(10-15)22-17-16-11-21-23(18(16)20-12-19-17)14-7-3-2-4-8-14/h2-4,7-8,11-13,15H,5-6,9-10H2,1H3,(H,19,20,22)
InChIKeySMMNCIDCQJPQSR-UHFFFAOYSA-N
XLogP3.18
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-methoxycyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 133399449) is N-(3-methoxycyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-methoxycyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-methoxycyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is COC1CCCC(Nc2ncnc3c2cnn3-c2ccccc2)C1.
What is the InChIKey of N-(3-methoxycyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is SMMNCIDCQJPQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-24-15-9-5-6-13(10-15)22-17-16-11-21-23(18(16)20-12-19-17)14-7-3-2-4-8-14/h2-4,7-8,11-13,15H,5-6,9-10H2,1H3,(H,19,20,22).
What are the key properties of N-(3-methoxycyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
N-(3-methoxycyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 323.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 133399449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).