N-[[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine

C12H21N3O — CID 79198540

IUPACN-[[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(C(C)(C)OC)n1
InChIInChI=1S/C12H21N3O/c1-5-7-13-9-10-6-8-14-11(15-10)12(2,3)16-4/h6,8,13H,5,7,9H2,1-4H3
InChIKeyPXTKSKNTGIIZBL-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.86
Rot. Bonds6

About N-[[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine

N-[[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine (PubChem CID 79198540) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine
PubChem CID79198540
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine
SMILESCCCNCc1ccnc(C(C)(C)OC)n1
InChIInChI=1S/C12H21N3O/c1-5-7-13-9-10-6-8-14-11(15-10)12(2,3)16-4/h6,8,13H,5,7,9H2,1-4H3
InChIKeyPXTKSKNTGIIZBL-UHFFFAOYSA-N
XLogP1.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.86
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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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine (CID 79198540) is N-[[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine is CCCNCc1ccnc(C(C)(C)OC)n1.
What is the InChIKey of N-[[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine?
The InChIKey is PXTKSKNTGIIZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-7-13-9-10-6-8-14-11(15-10)12(2,3)16-4/h6,8,13H,5,7,9H2,1-4H3.
What are the key properties of N-[[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine?
N-[[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 79198540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).