N,2-dimethyl-8-[5-(pyrimidin-2-ylamino)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine

C16H22N8 — CID 90806001

IUPACN,2-dimethyl-8-[5-(pyrimidin-2-ylamino)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCNc1nc(C)nc2c(CCCCCNc3ncccn3)cnn12
InChIInChI=1S/C16H22N8/c1-12-22-14-13(11-21-24(14)16(17-2)23-12)7-4-3-5-8-18-15-19-9-6-10-20-15/h6,9-11H,3-5,7-8H2,1-2H3,(H,17,22,23)(H,18,19,20)
InChIKeyLKANVDBQTOTYLF-UHFFFAOYSA-N
MW326.41 g/mol
LogP2.09
Rot. Bonds8

About N,2-dimethyl-8-[5-(pyrimidin-2-ylamino)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine

N,2-dimethyl-8-[5-(pyrimidin-2-ylamino)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 90806001) has the molecular formula C16H22N8 and a molecular weight of 326.41 g/mol. Its IUPAC name is N,2-dimethyl-8-[5-(pyrimidin-2-ylamino)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-8-[5-(pyrimidin-2-ylamino)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID90806001
Molecular FormulaC16H22N8
Molecular Weight326.41 g/mol
Exact Mass326.20
IUPAC NameN,2-dimethyl-8-[5-(pyrimidin-2-ylamino)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCNc1nc(C)nc2c(CCCCCNc3ncccn3)cnn12
InChIInChI=1S/C16H22N8/c1-12-22-14-13(11-21-24(14)16(17-2)23-12)7-4-3-5-8-18-15-19-9-6-10-20-15/h6,9-11H,3-5,7-8H2,1-2H3,(H,17,22,23)(H,18,19,20)
InChIKeyLKANVDBQTOTYLF-UHFFFAOYSA-N
XLogP2.09
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Ethyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53318090
2,5,6-trimethyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidin-4-amine
CID 72881735
6-ethyl-5-methyl-N~4~-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidine-2,4-diamine
CID 72939719
2-Piperazin-1-yl-3-(2,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine
CID 89810595
2-Piperazin-1-yl-3-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine
CID 89810597
8-[5-[(3-chloropyrazin-2-yl)amino]pentyl]-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 91071545
N'-[3-(3-butyl-5-fluoro-5-methylcyclooctyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-piperidin-4-ylethane-1,2-diamine
CID 123822958
N,N-dimethyl-6-(5,6,6-trifluorohex-5-enyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 141150483
3-(Piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 174285975
3-(Piperidin-4-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 174285977
3-(Piperidin-4-ylmethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 174285978
3-(4,4-Difluorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 176899045

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-8-[5-(pyrimidin-2-ylamino)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N,2-dimethyl-8-[5-(pyrimidin-2-ylamino)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 90806001) is N,2-dimethyl-8-[5-(pyrimidin-2-ylamino)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N,2-dimethyl-8-[5-(pyrimidin-2-ylamino)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N,2-dimethyl-8-[5-(pyrimidin-2-ylamino)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is CNc1nc(C)nc2c(CCCCCNc3ncccn3)cnn12.
What is the InChIKey of N,2-dimethyl-8-[5-(pyrimidin-2-ylamino)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is LKANVDBQTOTYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N8/c1-12-22-14-13(11-21-24(14)16(17-2)23-12)7-4-3-5-8-18-15-19-9-6-10-20-15/h6,9-11H,3-5,7-8H2,1-2H3,(H,17,22,23)(H,18,19,20).
What are the key properties of N,2-dimethyl-8-[5-(pyrimidin-2-ylamino)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?
N,2-dimethyl-8-[5-(pyrimidin-2-ylamino)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 326.41 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-8-[5-(pyrimidin-2-ylamino)pentyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 90806001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).