4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine

C19H29N7 — CID 70747548

IUPAC4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(NCc2cc3n(n2)CCN(C2CCCCC2)C3)n1
InChIInChI=1S/C19H29N7/c1-14-10-18(23-19(20-2)22-14)21-12-15-11-17-13-25(8-9-26(17)24-15)16-6-4-3-5-7-16/h10-11,16H,3-9,12-13H2,1-2H3,(H2,20,21,22,23)
InChIKeyNHQPVYTXNCPZTO-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.78
Rot. Bonds5

About 4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine

4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 70747548) has the molecular formula C19H29N7 and a molecular weight of 355.49 g/mol. Its IUPAC name is 4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID70747548
Molecular FormulaC19H29N7
Molecular Weight355.49 g/mol
Exact Mass355.25
IUPAC Name4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(NCc2cc3n(n2)CCN(C2CCCCC2)C3)n1
InChIInChI=1S/C19H29N7/c1-14-10-18(23-19(20-2)22-14)21-12-15-11-17-13-25(8-9-26(17)24-15)16-6-4-3-5-7-16/h10-11,16H,3-9,12-13H2,1-2H3,(H2,20,21,22,23)
InChIKeyNHQPVYTXNCPZTO-UHFFFAOYSA-N
XLogP2.78
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine (CID 70747548) is 4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine is CNc1nc(C)cc(NCc2cc3n(n2)CCN(C2CCCCC2)C3)n1.
What is the InChIKey of 4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is NHQPVYTXNCPZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7/c1-14-10-18(23-19(20-2)22-14)21-12-15-11-17-13-25(8-9-26(17)24-15)16-6-4-3-5-7-16/h10-11,16H,3-9,12-13H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine?
4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 355.49 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 70747548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).