N-cyclohexyl-1-(4-methoxyphenyl)-N-methylpyrazolo[5,4-d]pyrimidin-4-amine

C19H23N5O — CID 866500

IUPACN-cyclohexyl-1-(4-methoxyphenyl)-N-methylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-n2ncc3c(N(C)C4CCCCC4)ncnc32)cc1
InChIInChI=1S/C19H23N5O/c1-23(14-6-4-3-5-7-14)18-17-12-22-24(19(17)21-13-20-18)15-8-10-16(25-2)11-9-15/h8-14H,3-7H2,1-2H3
InChIKeyXRCKIQRUBBOFOL-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.59
Rot. Bonds4

About N-cyclohexyl-1-(4-methoxyphenyl)-N-methylpyrazolo[5,4-d]pyrimidin-4-amine

N-cyclohexyl-1-(4-methoxyphenyl)-N-methylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 866500) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-cyclohexyl-1-(4-methoxyphenyl)-N-methylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-(4-methoxyphenyl)-N-methylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID866500
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-cyclohexyl-1-(4-methoxyphenyl)-N-methylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-n2ncc3c(N(C)C4CCCCC4)ncnc32)cc1
InChIInChI=1S/C19H23N5O/c1-23(14-6-4-3-5-7-14)18-17-12-22-24(19(17)21-13-20-18)15-8-10-16(25-2)11-9-15/h8-14H,3-7H2,1-2H3
InChIKeyXRCKIQRUBBOFOL-UHFFFAOYSA-N
XLogP3.59
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(4-methoxyphenyl)-N-methylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-1-(4-methoxyphenyl)-N-methylpyrazolo[5,4-d]pyrimidin-4-amine (CID 866500) is N-cyclohexyl-1-(4-methoxyphenyl)-N-methylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-1-(4-methoxyphenyl)-N-methylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-1-(4-methoxyphenyl)-N-methylpyrazolo[5,4-d]pyrimidin-4-amine is COc1ccc(-n2ncc3c(N(C)C4CCCCC4)ncnc32)cc1.
What is the InChIKey of N-cyclohexyl-1-(4-methoxyphenyl)-N-methylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is XRCKIQRUBBOFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-23(14-6-4-3-5-7-14)18-17-12-22-24(19(17)21-13-20-18)15-8-10-16(25-2)11-9-15/h8-14H,3-7H2,1-2H3.
What are the key properties of N-cyclohexyl-1-(4-methoxyphenyl)-N-methylpyrazolo[5,4-d]pyrimidin-4-amine?
N-cyclohexyl-1-(4-methoxyphenyl)-N-methylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 337.43 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(4-methoxyphenyl)-N-methylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 866500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).