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

C19H20F2N6 — CID 118792457

IUPACN-[[5-[(2,6-difluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
SMILESCc1ccc(F)c(CN2CCn3nc(CNc4ncccn4)cc3C2)c1F
InChIInChI=1S/C19H20F2N6/c1-13-3-4-17(20)16(18(13)21)12-26-7-8-27-15(11-26)9-14(25-27)10-24-19-22-5-2-6-23-19/h2-6,9H,7-8,10-12H2,1H3,(H,22,23,24)
InChIKeyOURAJMSCLWURGL-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.89
Rot. Bonds5

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

N-[[5-[(2,6-difluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine (PubChem CID 118792457) has the molecular formula C19H20F2N6 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[[5-[(2,6-difluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[5-[(2,6-difluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
PubChem CID118792457
Molecular FormulaC19H20F2N6
Molecular Weight370.41 g/mol
Exact Mass370.17
IUPAC NameN-[[5-[(2,6-difluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
SMILESCc1ccc(F)c(CN2CCn3nc(CNc4ncccn4)cc3C2)c1F
InChIInChI=1S/C19H20F2N6/c1-13-3-4-17(20)16(18(13)21)12-26-7-8-27-15(11-26)9-14(25-27)10-24-19-22-5-2-6-23-19/h2-6,9H,7-8,10-12H2,1H3,(H,22,23,24)
InChIKeyOURAJMSCLWURGL-UHFFFAOYSA-N
XLogP2.89
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

Tegobuvir
CID 23649154
N2-((1S)-1-(4-Fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N6-2-pyrazinyl-2,6-pyridinediamine
CID 46866319
SB-220025
CID 5164
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
VK-19911
CID 9797240
SB-242235
CID 9863367
Unc569
CID 53355503
Pyrazolo[1,5-b]pyridazine deriv. 35
CID 6539377
Pyrazolo[1,5-b]pyridazine deriv. 37
CID 6539379
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70984064

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2,6-difluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[5-[(2,6-difluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine (CID 118792457) is N-[[5-[(2,6-difluoro-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-[(2,6-difluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[5-[(2,6-difluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine is Cc1ccc(F)c(CN2CCn3nc(CNc4ncccn4)cc3C2)c1F.
What is the InChIKey of N-[[5-[(2,6-difluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is OURAJMSCLWURGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6/c1-13-3-4-17(20)16(18(13)21)12-26-7-8-27-15(11-26)9-14(25-27)10-24-19-22-5-2-6-23-19/h2-6,9H,7-8,10-12H2,1H3,(H,22,23,24).
What are the key properties of N-[[5-[(2,6-difluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
N-[[5-[(2,6-difluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 370.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2,6-difluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 118792457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).