N-[(4-methyl-2-propoxypyrimidin-5-yl)methyl]propan-1-amine

C12H21N3O — CID 83188978

IUPACN-[(4-methyl-2-propoxypyrimidin-5-yl)methyl]propan-1-amine
SMILESCCCNCc1cnc(OCCC)nc1C
InChIInChI=1S/C12H21N3O/c1-4-6-13-8-11-9-14-12(15-10(11)3)16-7-5-2/h9,13H,4-8H2,1-3H3
InChIKeyVZUPZEPYEJMSCP-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.07
Rot. Bonds7

About N-[(4-methyl-2-propoxypyrimidin-5-yl)methyl]propan-1-amine

N-[(4-methyl-2-propoxypyrimidin-5-yl)methyl]propan-1-amine (PubChem CID 83188978) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(4-methyl-2-propoxypyrimidin-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methyl-2-propoxypyrimidin-5-yl)methyl]propan-1-amine
PubChem CID83188978
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[(4-methyl-2-propoxypyrimidin-5-yl)methyl]propan-1-amine
SMILESCCCNCc1cnc(OCCC)nc1C
InChIInChI=1S/C12H21N3O/c1-4-6-13-8-11-9-14-12(15-10(11)3)16-7-5-2/h9,13H,4-8H2,1-3H3
InChIKeyVZUPZEPYEJMSCP-UHFFFAOYSA-N
XLogP2.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.07
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

N-[(4-methyl-2-pentoxypyrimidin-5-yl)methyl]propan-1-amine
CID 83189667
N-[(2-heptoxy-4-methylpyrimidin-5-yl)methyl]propan-1-amine
CID 83188821
N-[[2-(3-methoxypropoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83189344
N-[[4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-5-yl]methyl]propan-1-amine
CID 115942748
N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 106667566
N-[[2-(2,2-difluoroethoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83195410
N-[[2-(4-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83187491
N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine
CID 83189460
N-[[2-(4-bromophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83189213
N-[[2-(3,5-difluorophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83187362
N-[[2-(2-chlorophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83189598
N-[(2-but-3-enoxy-4-methylpyrimidin-5-yl)methyl]ethanamine
CID 83188963

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-propoxypyrimidin-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-methyl-2-propoxypyrimidin-5-yl)methyl]propan-1-amine (CID 83188978) is N-[(4-methyl-2-propoxypyrimidin-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-methyl-2-propoxypyrimidin-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-methyl-2-propoxypyrimidin-5-yl)methyl]propan-1-amine is CCCNCc1cnc(OCCC)nc1C.
What is the InChIKey of N-[(4-methyl-2-propoxypyrimidin-5-yl)methyl]propan-1-amine?
The InChIKey is VZUPZEPYEJMSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-6-13-8-11-9-14-12(15-10(11)3)16-7-5-2/h9,13H,4-8H2,1-3H3.
What are the key properties of N-[(4-methyl-2-propoxypyrimidin-5-yl)methyl]propan-1-amine?
N-[(4-methyl-2-propoxypyrimidin-5-yl)methyl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-propoxypyrimidin-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 83188978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).