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

C20H25N7 — CID 118763967

IUPACN-[[5-[[4-(2-aminoethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
SMILESNCCc1ccc(CN2CCn3nc(CNc4ncccn4)cc3C2)cc1
InChIInChI=1S/C20H25N7/c21-7-6-16-2-4-17(5-3-16)14-26-10-11-27-19(15-26)12-18(25-27)13-24-20-22-8-1-9-23-20/h1-5,8-9,12H,6-7,10-11,13-15,21H2,(H,22,23,24)
InChIKeyCGEXSMPPFLEEIQ-UHFFFAOYSA-N
MW363.47 g/mol
LogP1.80
Rot. Bonds7

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

N-[[5-[[4-(2-aminoethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine (PubChem CID 118763967) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[[5-[[4-(2-aminoethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[5-[[4-(2-aminoethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
PubChem CID118763967
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC NameN-[[5-[[4-(2-aminoethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
SMILESNCCc1ccc(CN2CCn3nc(CNc4ncccn4)cc3C2)cc1
InChIInChI=1S/C20H25N7/c21-7-6-16-2-4-17(5-3-16)14-26-10-11-27-19(15-26)12-18(25-27)13-24-20-22-8-1-9-23-20/h1-5,8-9,12H,6-7,10-11,13-15,21H2,(H,22,23,24)
InChIKeyCGEXSMPPFLEEIQ-UHFFFAOYSA-N
XLogP1.80
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]benzoic acid
CID 118788965
N-[[5-[(3,4-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 118775970
N-[[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 118794700
2-[4-[[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]ethanol
CID 118775943
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-(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-(2,1,3-benzoxadiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 118789867
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-(3-fluoro-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 118780131
N-[[5-(quinolin-6-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 70726381
3-[2-[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzoxazol-2-one
CID 118795752

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[4-(2-aminoethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[5-[[4-(2-aminoethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine (CID 118763967) is N-[[5-[[4-(2-aminoethyl)phenyl]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-(2-aminoethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[5-[[4-(2-aminoethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine is NCCc1ccc(CN2CCn3nc(CNc4ncccn4)cc3C2)cc1.
What is the InChIKey of N-[[5-[[4-(2-aminoethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is CGEXSMPPFLEEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7/c21-7-6-16-2-4-17(5-3-16)14-26-10-11-27-19(15-26)12-18(25-27)13-24-20-22-8-1-9-23-20/h1-5,8-9,12H,6-7,10-11,13-15,21H2,(H,22,23,24).
What are the key properties of N-[[5-[[4-(2-aminoethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine?
N-[[5-[[4-(2-aminoethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 363.47 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[4-(2-aminoethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 118763967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).