1-[3-[[5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-3-phenylpropan-2-ol

C18H24N6O — CID 143312037

IUPAC1-[3-[[5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-3-phenylpropan-2-ol
SMILESN/N=C\c1cncnc1NC1CCN(CC(O)Cc2ccccc2)C1
InChIInChI=1S/C18H24N6O/c19-22-10-15-9-20-13-21-18(15)23-16-6-7-24(11-16)12-17(25)8-14-4-2-1-3-5-14/h1-5,9-10,13,16-17,25H,6-8,11-12,19H2,(H,20,21,23)/b22-10-
InChIKeyLHVQCSZHXNTFCY-YVNNLAQVSA-N
MW340.43 g/mol
LogP0.86
Rot. Bonds7

About 1-[3-[[5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-3-phenylpropan-2-ol

1-[3-[[5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-3-phenylpropan-2-ol (PubChem CID 143312037) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[3-[[5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[3-[[5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-3-phenylpropan-2-ol
PubChem CID143312037
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name1-[3-[[5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-3-phenylpropan-2-ol
SMILESN/N=C\c1cncnc1NC1CCN(CC(O)Cc2ccccc2)C1
InChIInChI=1S/C18H24N6O/c19-22-10-15-9-20-13-21-18(15)23-16-6-7-24(11-16)12-17(25)8-14-4-2-1-3-5-14/h1-5,9-10,13,16-17,25H,6-8,11-12,19H2,(H,20,21,23)/b22-10-
InChIKeyLHVQCSZHXNTFCY-YVNNLAQVSA-N
XLogP0.86
TPSA99.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-3-phenylpropan-2-ol?
The IUPAC name of 1-[3-[[5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-3-phenylpropan-2-ol (CID 143312037) is 1-[3-[[5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-3-phenylpropan-2-ol.
What is the SMILES notation for 1-[3-[[5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-3-phenylpropan-2-ol?
The canonical SMILES for 1-[3-[[5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-3-phenylpropan-2-ol is N/N=C\c1cncnc1NC1CCN(CC(O)Cc2ccccc2)C1.
What is the InChIKey of 1-[3-[[5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-3-phenylpropan-2-ol?
The InChIKey is LHVQCSZHXNTFCY-YVNNLAQVSA-N. The full InChI is InChI=1S/C18H24N6O/c19-22-10-15-9-20-13-21-18(15)23-16-6-7-24(11-16)12-17(25)8-14-4-2-1-3-5-14/h1-5,9-10,13,16-17,25H,6-8,11-12,19H2,(H,20,21,23)/b22-10-.
What are the key properties of 1-[3-[[5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-3-phenylpropan-2-ol?
1-[3-[[5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-3-phenylpropan-2-ol has a molecular weight of 340.43 g/mol, XLogP of 0.86, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-[(Z)-hydrazinylidenemethyl]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-3-phenylpropan-2-ol is sourced from PubChem (CID 143312037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).