4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine

C15H21N7 — CID 56901571

IUPAC4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine
SMILESCc1cc2n(n1)CCN(c1nc(N)nc3c1CCNCC3)C2
InChIInChI=1S/C15H21N7/c1-10-8-11-9-21(6-7-22(11)20-10)14-12-2-4-17-5-3-13(12)18-15(16)19-14/h8,17H,2-7,9H2,1H3,(H2,16,18,19)
InChIKeyALJRLCSCWDZUHR-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.27
Rot. Bonds1

About 4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine

4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine (PubChem CID 56901571) has the molecular formula C15H21N7 and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine.

Molecular Properties

Compound Name4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine
PubChem CID56901571
Molecular FormulaC15H21N7
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine
SMILESCc1cc2n(n1)CCN(c1nc(N)nc3c1CCNCC3)C2
InChIInChI=1S/C15H21N7/c1-10-8-11-9-21(6-7-22(11)20-10)14-12-2-4-17-5-3-13(12)18-15(16)19-14/h8,17H,2-7,9H2,1H3,(H2,16,18,19)
InChIKeyALJRLCSCWDZUHR-UHFFFAOYSA-N
XLogP0.27
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine?
The IUPAC name of 4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine (CID 56901571) is 4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine.
What is the SMILES notation for 4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine?
The canonical SMILES for 4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine is Cc1cc2n(n1)CCN(c1nc(N)nc3c1CCNCC3)C2.
What is the InChIKey of 4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine?
The InChIKey is ALJRLCSCWDZUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7/c1-10-8-11-9-21(6-7-22(11)20-10)14-12-2-4-17-5-3-13(12)18-15(16)19-14/h8,17H,2-7,9H2,1H3,(H2,16,18,19).
What are the key properties of 4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine?
4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine has a molecular weight of 299.38 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine is sourced from PubChem (CID 56901571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).