N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine

C12H19N3O — CID 65329120

IUPACN-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C2CCOC2)nc1
InChIInChI=1S/C12H19N3O/c1-2-4-13-6-10-7-14-12(15-8-10)11-3-5-16-9-11/h7-8,11,13H,2-6,9H2,1H3
InChIKeyHDDQDLYMHICQAQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.48
Rot. Bonds5

About N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine

N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 65329120) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
PubChem CID65329120
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C2CCOC2)nc1
InChIInChI=1S/C12H19N3O/c1-2-4-13-6-10-7-14-12(15-8-10)11-3-5-16-9-11/h7-8,11,13H,2-6,9H2,1H3
InChIKeyHDDQDLYMHICQAQ-UHFFFAOYSA-N
XLogP1.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[3-(oxolan-3-ylmethoxy)propyl]pyrimidin-2-amine
CID 72003509
N-[3-(Cyclopentyloxy)propyl]-5-ethylpyrimidin-2-amine
CID 72867029
[1-[(2-Propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 110226036
5-[1-butyl-3-(tetrahydrofuran-3-yl)-1H-1,2,4-triazol-5-yl]-N-methylpyrimidin-2-amine
CID 74248066
2-Amino-3-(5-methylpyrimidin-2-yl)propan-1-ol
CID 138991302
5-{[ethyl(tetrahydro-2H-pyran-4-ylmethyl)amino]methyl}pyrimidin-2-amine
CID 50971408
N-{[1-(3-Methoxypropyl)pyrrolidin-3-YL]methyl}pyrimidin-4-amine
CID 72922056
1,3-Diethyl-2-[2-(5-methylpyrimidin-2-yl)ethyl]guanidine
CID 86781285
2-N,2-N,4-N-trimethyl-4-N-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine
CID 97319690
N-ethyl-5-[[methyl-[[(3R)-oxolan-3-yl]methyl]amino]methyl]pyrimidin-2-amine
CID 129623168
(3S)-N-ethyl-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidine-3-carboxamide
CID 164639204
2-[[1-(3-Fluoropropyl)pyrrolidin-3-yl]methoxy]-5-methylpyrimidine
CID 134533841

Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine (CID 65329120) is N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine is CCCNCc1cnc(C2CCOC2)nc1.
What is the InChIKey of N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is HDDQDLYMHICQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-4-13-6-10-7-14-12(15-8-10)11-3-5-16-9-11/h7-8,11,13H,2-6,9H2,1H3.
What are the key properties of N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine?
N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 65329120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).