N-[[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine

C19H21FN6 — CID 118794700

IUPACN-[[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
SMILESCc1cc(CN2CCn3nc(CNc4ncccn4)cc3C2)ccc1F
InChIInChI=1S/C19H21FN6/c1-14-9-15(3-4-18(14)20)12-25-7-8-26-17(13-25)10-16(24-26)11-23-19-21-5-2-6-22-19/h2-6,9-10H,7-8,11-13H2,1H3,(H,21,22,23)
InChIKeyATBNVMSUOVEERF-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.75
Rot. Bonds5

About N-[[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine

N-[[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine (PubChem CID 118794700) has the molecular formula C19H21FN6 and a molecular weight of 352.42 g/mol. Its IUPAC name is N-[[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
PubChem CID118794700
Molecular FormulaC19H21FN6
Molecular Weight352.42 g/mol
Exact Mass352.18
IUPAC NameN-[[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
SMILESCc1cc(CN2CCn3nc(CNc4ncccn4)cc3C2)ccc1F
InChIInChI=1S/C19H21FN6/c1-14-9-15(3-4-18(14)20)12-25-7-8-26-17(13-25)10-16(24-26)11-23-19-21-5-2-6-22-19/h2-6,9-10H,7-8,11-13H2,1H3,(H,21,22,23)
InChIKeyATBNVMSUOVEERF-UHFFFAOYSA-N
XLogP2.75
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine (CID 118794700) is N-[[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine is Cc1cc(CN2CCn3nc(CNc4ncccn4)cc3C2)ccc1F.
What is the InChIKey of N-[[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is ATBNVMSUOVEERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6/c1-14-9-15(3-4-18(14)20)12-25-7-8-26-17(13-25)10-16(24-26)11-23-19-21-5-2-6-22-19/h2-6,9-10H,7-8,11-13H2,1H3,(H,21,22,23).
What are the key properties of N-[[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
N-[[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 352.42 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 118794700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).