6-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrimidin-4-amine

C15H17N9 — CID 118778293

IUPAC6-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrimidin-4-amine
SMILESNc1cc(N2CCn3nc(CNc4cnccn4)cc3C2)ncn1
InChIInChI=1S/C15H17N9/c16-13-6-15(21-10-20-13)23-3-4-24-12(9-23)5-11(22-24)7-19-14-8-17-1-2-18-14/h1-2,5-6,8,10H,3-4,7,9H2,(H,18,19)(H2,16,20,21)
InChIKeyIEMHHFVXNWYBOQ-UHFFFAOYSA-N
MW323.36 g/mol
LogP0.68
Rot. Bonds4

About 6-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrimidin-4-amine

6-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrimidin-4-amine (PubChem CID 118778293) has the molecular formula C15H17N9 and a molecular weight of 323.36 g/mol. Its IUPAC name is 6-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrimidin-4-amine
PubChem CID118778293
Molecular FormulaC15H17N9
Molecular Weight323.36 g/mol
Exact Mass323.16
IUPAC Name6-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrimidin-4-amine
SMILESNc1cc(N2CCn3nc(CNc4cnccn4)cc3C2)ncn1
InChIInChI=1S/C15H17N9/c16-13-6-15(21-10-20-13)23-3-4-24-12(9-23)5-11(22-24)7-19-14-8-17-1-2-18-14/h1-2,5-6,8,10H,3-4,7,9H2,(H,18,19)(H2,16,20,21)
InChIKeyIEMHHFVXNWYBOQ-UHFFFAOYSA-N
XLogP0.68
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrimidin-4-amine?
The IUPAC name of 6-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrimidin-4-amine (CID 118778293) is 6-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrimidin-4-amine is Nc1cc(N2CCn3nc(CNc4cnccn4)cc3C2)ncn1.
What is the InChIKey of 6-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrimidin-4-amine?
The InChIKey is IEMHHFVXNWYBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N9/c16-13-6-15(21-10-20-13)23-3-4-24-12(9-23)5-11(22-24)7-19-14-8-17-1-2-18-14/h1-2,5-6,8,10H,3-4,7,9H2,(H,18,19)(H2,16,20,21).
What are the key properties of 6-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrimidin-4-amine?
6-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrimidin-4-amine has a molecular weight of 323.36 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrimidin-4-amine is sourced from PubChem (CID 118778293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).