3-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-1-ol

C12H15N3O2 — CID 116975077

IUPAC3-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-1-ol
SMILESCc1ccc(-c2cnc(NCCCO)nc2)o1
InChIInChI=1S/C12H15N3O2/c1-9-3-4-11(17-9)10-7-14-12(15-8-10)13-5-2-6-16/h3-4,7-8,16H,2,5-6H2,1H3,(H,13,14,15)
InChIKeyYBNSQBUXQRITBF-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.84
Rot. Bonds5

About 3-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-1-ol

3-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-1-ol (PubChem CID 116975077) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-1-ol
PubChem CID116975077
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-1-ol
SMILESCc1ccc(-c2cnc(NCCCO)nc2)o1
InChIInChI=1S/C12H15N3O2/c1-9-3-4-11(17-9)10-7-14-12(15-8-10)13-5-2-6-16/h3-4,7-8,16H,2,5-6H2,1H3,(H,13,14,15)
InChIKeyYBNSQBUXQRITBF-UHFFFAOYSA-N
XLogP1.84
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propanenitrile
CID 116975727
1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]butane-1,3-diamine
CID 116974564
1-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-2-one
CID 116975894
2-methyl-1-N-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]propane-1,2-diamine
CID 116974395
3-[[5-(2-bromophenyl)pyrimidin-2-yl]amino]propan-1-ol
CID 116975082
N,N'-dimethyl-N'-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 116977334
N-methyl-N'-[5-(4-methylphenyl)pyrimidin-2-yl]propane-1,3-diamine
CID 116974445
6-[(5-bromopyrimidin-2-yl)amino]hexan-1-ol
CID 103918084
2-[(5-phenylpyrimidin-2-yl)amino]ethanol
CID 5157683
3-[3-(5-methylfuran-2-yl)phenyl]propan-1-ol
CID 170887659
N-methyl-N'-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]propane-1,3-diamine
CID 116974450
2-[[5-(3-methylthiophen-2-yl)pyrimidin-2-yl]amino]ethanol
CID 116975040

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-1-ol?
The IUPAC name of 3-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-1-ol (CID 116975077) is 3-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-1-ol is Cc1ccc(-c2cnc(NCCCO)nc2)o1.
What is the InChIKey of 3-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-1-ol?
The InChIKey is YBNSQBUXQRITBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9-3-4-11(17-9)10-7-14-12(15-8-10)13-5-2-6-16/h3-4,7-8,16H,2,5-6H2,1H3,(H,13,14,15).
What are the key properties of 3-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-1-ol?
3-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-1-ol has a molecular weight of 233.27 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 116975077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).