3-[6-(dimethylamino)-2-[2-[(3-methylphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]propan-1-ol

C17H23N5O — CID 66682618

IUPAC3-[6-(dimethylamino)-2-[2-[(3-methylphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]propan-1-ol
SMILESCc1cccc(C=NNc2nc(CCCO)cc(N(C)C)n2)c1
InChIInChI=1S/C17H23N5O/c1-13-6-4-7-14(10-13)12-18-21-17-19-15(8-5-9-23)11-16(20-17)22(2)3/h4,6-7,10-12,23H,5,8-9H2,1-3H3,(H,19,20,21)
InChIKeyOVXAFQXHBULESR-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.22
Rot. Bonds7

About 3-[6-(dimethylamino)-2-[2-[(3-methylphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]propan-1-ol

3-[6-(dimethylamino)-2-[2-[(3-methylphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]propan-1-ol (PubChem CID 66682618) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 3-[6-(dimethylamino)-2-[2-[(3-methylphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[6-(dimethylamino)-2-[2-[(3-methylphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]propan-1-ol
PubChem CID66682618
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name3-[6-(dimethylamino)-2-[2-[(3-methylphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]propan-1-ol
SMILESCc1cccc(C=NNc2nc(CCCO)cc(N(C)C)n2)c1
InChIInChI=1S/C17H23N5O/c1-13-6-4-7-14(10-13)12-18-21-17-19-15(8-5-9-23)11-16(20-17)22(2)3/h4,6-7,10-12,23H,5,8-9H2,1-3H3,(H,19,20,21)
InChIKeyOVXAFQXHBULESR-UHFFFAOYSA-N
XLogP2.22
TPSA73.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[5,6-diethyl-2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]amino]butan-1-ol
CID 155350711
2-N,4-N-bis[(3-methylphenyl)methylideneamino]pyrimidine-2,4,6-triamine
CID 66684301
2-N,4-N-bis[(E)-(3-methylphenyl)methylideneamino]pyrimidine-2,4,6-triamine
CID 11537766
4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidine-4,6-diamine
CID 11646521
2-[2-[(3-methylphenyl)methylidene]hydrazinyl]ethanol
CID 110840042
2-(2-methoxy-2-methylpropoxy)-4-N,4-N-dimethyl-6-N-[(E)-(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine
CID 89358698
4-[2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethoxy]butan-1-ol
CID 89332299
4-(dipropylamino)-N,N-dimethyl-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]pyridine-2-carboxamide
CID 89358315
N'-(ethenylideneamino)-N-[(E)-(3-methylphenyl)methylideneamino]hexanediamide
CID 176543341
2-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-4-yl]oxyethyl morpholine-4-carboxylate
CID 11662808
3-[4-[2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-2-pyridinyl]propyl carbamate
CID 150980685
N-(benzylideneamino)-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine
CID 2842306

Frequently Asked Questions

What is the IUPAC name of 3-[6-(dimethylamino)-2-[2-[(3-methylphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]propan-1-ol?
The IUPAC name of 3-[6-(dimethylamino)-2-[2-[(3-methylphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]propan-1-ol (CID 66682618) is 3-[6-(dimethylamino)-2-[2-[(3-methylphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]propan-1-ol.
What is the SMILES notation for 3-[6-(dimethylamino)-2-[2-[(3-methylphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]propan-1-ol?
The canonical SMILES for 3-[6-(dimethylamino)-2-[2-[(3-methylphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]propan-1-ol is Cc1cccc(C=NNc2nc(CCCO)cc(N(C)C)n2)c1.
What is the InChIKey of 3-[6-(dimethylamino)-2-[2-[(3-methylphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]propan-1-ol?
The InChIKey is OVXAFQXHBULESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-6-4-7-14(10-13)12-18-21-17-19-15(8-5-9-23)11-16(20-17)22(2)3/h4,6-7,10-12,23H,5,8-9H2,1-3H3,(H,19,20,21).
What are the key properties of 3-[6-(dimethylamino)-2-[2-[(3-methylphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]propan-1-ol?
3-[6-(dimethylamino)-2-[2-[(3-methylphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]propan-1-ol has a molecular weight of 313.41 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(dimethylamino)-2-[2-[(3-methylphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]propan-1-ol is sourced from PubChem (CID 66682618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).