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

C20H30N6 — CID 125173894

IUPACN-[[5-[(2R)-2,6-dimethylhept-5-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
SMILESCC(C)=CCC[C@@H](C)CN1CCn2nc(CNc3ncccn3)cc2C1
InChIInChI=1S/C20H30N6/c1-16(2)6-4-7-17(3)14-25-10-11-26-19(15-25)12-18(24-26)13-23-20-21-8-5-9-22-20/h5-6,8-9,12,17H,4,7,10-11,13-15H2,1-3H3,(H,21,22,23)/t17-/m1/s1
InChIKeyBZMFCHPDJADYDE-QGZVFWFLSA-N
MW354.50 g/mol
LogP3.48
Rot. Bonds8

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

N-[[5-[(2R)-2,6-dimethylhept-5-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine (PubChem CID 125173894) has the molecular formula C20H30N6 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[[5-[(2R)-2,6-dimethylhept-5-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[5-[(2R)-2,6-dimethylhept-5-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
PubChem CID125173894
Molecular FormulaC20H30N6
Molecular Weight354.50 g/mol
Exact Mass354.25
IUPAC NameN-[[5-[(2R)-2,6-dimethylhept-5-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
SMILESCC(C)=CCC[C@@H](C)CN1CCn2nc(CNc3ncccn3)cc2C1
InChIInChI=1S/C20H30N6/c1-16(2)6-4-7-17(3)14-25-10-11-26-19(15-25)12-18(24-26)13-23-20-21-8-5-9-22-20/h5-6,8-9,12,17H,4,7,10-11,13-15H2,1-3H3,(H,21,22,23)/t17-/m1/s1
InChIKeyBZMFCHPDJADYDE-QGZVFWFLSA-N
XLogP3.48
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 72892667
N-[(5-pentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]pyrimidin-2-amine
CID 118765107
N-[[5-[(3,4-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 118775970
4-[[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]benzoic acid
CID 118788965
2-[4-[[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]ethanol
CID 118775943
2-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 72940103
N-[[5-[[4-(2-aminoethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 118763967
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
N-[[5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 118791369
N-[[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 118794700
N,N-dimethyl-2-[(pyrimidin-2-ylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 70729401
N-[[5-(2-methylbut-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine
CID 171134725

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2R)-2,6-dimethylhept-5-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[5-[(2R)-2,6-dimethylhept-5-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine (CID 125173894) is N-[[5-[(2R)-2,6-dimethylhept-5-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[5-[(2R)-2,6-dimethylhept-5-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[5-[(2R)-2,6-dimethylhept-5-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine is CC(C)=CCC[C@@H](C)CN1CCn2nc(CNc3ncccn3)cc2C1.
What is the InChIKey of N-[[5-[(2R)-2,6-dimethylhept-5-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is BZMFCHPDJADYDE-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H30N6/c1-16(2)6-4-7-17(3)14-25-10-11-26-19(15-25)12-18(24-26)13-23-20-21-8-5-9-22-20/h5-6,8-9,12,17H,4,7,10-11,13-15H2,1-3H3,(H,21,22,23)/t17-/m1/s1.
What are the key properties of N-[[5-[(2R)-2,6-dimethylhept-5-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
N-[[5-[(2R)-2,6-dimethylhept-5-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 354.50 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2R)-2,6-dimethylhept-5-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 125173894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).