5-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolidin-3-imine

C15H23N7 — CID 137031060

IUPAC5-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolidin-3-imine
SMILESCN1CCN(c2nccc(/N=C3/CC(C4CC4)NN3)n2)CC1
InChIInChI=1S/C15H23N7/c1-21-6-8-22(9-7-21)15-16-5-4-13(18-15)17-14-10-12(19-20-14)11-2-3-11/h4-5,11-12,19H,2-3,6-10H2,1H3,(H,16,17,18,20)
InChIKeyCKYXLRPMQVTDJS-UHFFFAOYSA-N
MW301.40 g/mol
LogP0.53
Rot. Bonds3

About 5-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolidin-3-imine

5-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolidin-3-imine (PubChem CID 137031060) has the molecular formula C15H23N7 and a molecular weight of 301.40 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolidin-3-imine.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolidin-3-imine
PubChem CID137031060
Molecular FormulaC15H23N7
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC Name5-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolidin-3-imine
SMILESCN1CCN(c2nccc(/N=C3/CC(C4CC4)NN3)n2)CC1
InChIInChI=1S/C15H23N7/c1-21-6-8-22(9-7-21)15-16-5-4-13(18-15)17-14-10-12(19-20-14)11-2-3-11/h4-5,11-12,19H,2-3,6-10H2,1H3,(H,16,17,18,20)
InChIKeyCKYXLRPMQVTDJS-UHFFFAOYSA-N
XLogP0.53
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-cyclopropyl-N-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrimidin-4-yl]pyrazolidin-3-imine
CID 169170321
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 15132532
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 22152276
4-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 44613516
4-(1,3-dithian-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
CID 44613633
2-(4-methylpiperazin-1-yl)-4-pyridin-3-ylpyrimidine
CID 44613762
2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 107543268
(E)-6-cyclopropyl-N-[6-(4-methylpiperazin-1-yl)-2-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]pyrimidin-4-yl]diazinan-3-imine
CID 143436173
ethane;2-(4-methylpiperazin-1-yl)pyrimidine
CID 143004762
4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 112888108
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-4-(4-methylpiperazin-1-yl)pyrimidine
CID 166601472
2-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 59493796

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolidin-3-imine?
The IUPAC name of 5-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolidin-3-imine (CID 137031060) is 5-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolidin-3-imine.
What is the SMILES notation for 5-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolidin-3-imine?
The canonical SMILES for 5-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolidin-3-imine is CN1CCN(c2nccc(/N=C3/CC(C4CC4)NN3)n2)CC1.
What is the InChIKey of 5-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolidin-3-imine?
The InChIKey is CKYXLRPMQVTDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7/c1-21-6-8-22(9-7-21)15-16-5-4-13(18-15)17-14-10-12(19-20-14)11-2-3-11/h4-5,11-12,19H,2-3,6-10H2,1H3,(H,16,17,18,20).
What are the key properties of 5-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolidin-3-imine?
5-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolidin-3-imine has a molecular weight of 301.40 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolidin-3-imine is sourced from PubChem (CID 137031060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).