N'-[2-(pyrazin-2-ylamino)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide

C15H21N9 — CID 119118712

IUPACN'-[2-(pyrazin-2-ylamino)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESN/C(=N\CCNc1cnccn1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H21N9/c16-14(20-7-6-19-13-12-17-4-5-18-13)23-8-10-24(11-9-23)15-21-2-1-3-22-15/h1-5,12H,6-11H2,(H2,16,20)(H,18,19)
InChIKeyDWUPWTHQXZEWJX-UHFFFAOYSA-N
MW327.40 g/mol
LogP-0.18
Rot. Bonds5

About N'-[2-(pyrazin-2-ylamino)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide

N'-[2-(pyrazin-2-ylamino)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide (PubChem CID 119118712) has the molecular formula C15H21N9 and a molecular weight of 327.40 g/mol. Its IUPAC name is N'-[2-(pyrazin-2-ylamino)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(pyrazin-2-ylamino)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
PubChem CID119118712
Molecular FormulaC15H21N9
Molecular Weight327.40 g/mol
Exact Mass327.19
IUPAC NameN'-[2-(pyrazin-2-ylamino)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESN/C(=N\CCNc1cnccn1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H21N9/c16-14(20-7-6-19-13-12-17-4-5-18-13)23-8-10-24(11-9-23)15-21-2-1-3-22-15/h1-5,12H,6-11H2,(H2,16,20)(H,18,19)
InChIKeyDWUPWTHQXZEWJX-UHFFFAOYSA-N
XLogP-0.18
TPSA108.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiomorpholine-4-carboximidamide
CID 111062149
N'-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119119813
N'-[2-(3,5-difluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119121003
N'-[2-(1,4-oxazepan-4-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 122082011
N-[2-[[amino-(4-pyrimidin-2-ylpiperazin-1-yl)methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide
CID 119118104
N'-(2-phenylsulfanylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119117550
N'-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 119130984
N'-(pyridin-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119117111
N'-[2-(4-hydroxyoxan-4-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 120973143
tert-butyl 2-[[amino-(4-pyrimidin-2-ylpiperazin-1-yl)methylidene]amino]acetate;hydroiodide
CID 119146782
N-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 119115570
N'-[2-[cyclopropyl(methyl)amino]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119120397

Frequently Asked Questions

What is the IUPAC name of N'-[2-(pyrazin-2-ylamino)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N'-[2-(pyrazin-2-ylamino)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide (CID 119118712) is N'-[2-(pyrazin-2-ylamino)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-[2-(pyrazin-2-ylamino)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N'-[2-(pyrazin-2-ylamino)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide is N/C(=N\CCNc1cnccn1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N'-[2-(pyrazin-2-ylamino)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The InChIKey is DWUPWTHQXZEWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N9/c16-14(20-7-6-19-13-12-17-4-5-18-13)23-8-10-24(11-9-23)15-21-2-1-3-22-15/h1-5,12H,6-11H2,(H2,16,20)(H,18,19).
What are the key properties of N'-[2-(pyrazin-2-ylamino)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
N'-[2-(pyrazin-2-ylamino)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide has a molecular weight of 327.40 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(pyrazin-2-ylamino)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 119118712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).