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

C16H20N10 — CID 118764038

IUPAC4-N-methyl-6-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrimidine-2,4-diamine
SMILESCNc1cc(N2CCn3nc(CNc4cnccn4)cc3C2)nc(N)n1
InChIInChI=1S/C16H20N10/c1-18-13-7-15(23-16(17)22-13)25-4-5-26-12(10-25)6-11(24-26)8-21-14-9-19-2-3-20-14/h2-3,6-7,9H,4-5,8,10H2,1H3,(H,20,21)(H3,17,18,22,23)
InChIKeyMKFQXJLEUMKSQR-UHFFFAOYSA-N
MW352.41 g/mol
LogP0.72
Rot. Bonds5

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

4-N-methyl-6-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrimidine-2,4-diamine (PubChem CID 118764038) has the molecular formula C16H20N10 and a molecular weight of 352.41 g/mol. Its IUPAC name is 4-N-methyl-6-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrimidine-2,4-diamine
PubChem CID118764038
Molecular FormulaC16H20N10
Molecular Weight352.41 g/mol
Exact Mass352.19
IUPAC Name4-N-methyl-6-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrimidine-2,4-diamine
SMILESCNc1cc(N2CCn3nc(CNc4cnccn4)cc3C2)nc(N)n1
InChIInChI=1S/C16H20N10/c1-18-13-7-15(23-16(17)22-13)25-4-5-26-12(10-25)6-11(24-26)8-21-14-9-19-2-3-20-14/h2-3,6-7,9H,4-5,8,10H2,1H3,(H,20,21)(H3,17,18,22,23)
InChIKeyMKFQXJLEUMKSQR-UHFFFAOYSA-N
XLogP0.72
TPSA122.70 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrimidine-2,4-diamine (CID 118764038) is 4-N-methyl-6-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrimidine-2,4-diamine is CNc1cc(N2CCn3nc(CNc4cnccn4)cc3C2)nc(N)n1.
What is the InChIKey of 4-N-methyl-6-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrimidine-2,4-diamine?
The InChIKey is MKFQXJLEUMKSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N10/c1-18-13-7-15(23-16(17)22-13)25-4-5-26-12(10-25)6-11(24-26)8-21-14-9-19-2-3-20-14/h2-3,6-7,9H,4-5,8,10H2,1H3,(H,20,21)(H3,17,18,22,23).
What are the key properties of 4-N-methyl-6-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrimidine-2,4-diamine?
4-N-methyl-6-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrimidine-2,4-diamine has a molecular weight of 352.41 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-[2-[(pyrazin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 118764038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).