N-[[4-ethyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine

C13H23N3O — CID 114206739

IUPACN-[[4-ethyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCCc1nc(CCOC)ncc1CNC(C)C
InChIInChI=1S/C13H23N3O/c1-5-12-11(8-14-10(2)3)9-15-13(16-12)6-7-17-4/h9-10,14H,5-8H2,1-4H3
InChIKeyGNMMYVQYPSOELX-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.73
Rot. Bonds7

About N-[[4-ethyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine

N-[[4-ethyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 114206739) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[[4-ethyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine
PubChem CID114206739
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[[4-ethyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCCc1nc(CCOC)ncc1CNC(C)C
InChIInChI=1S/C13H23N3O/c1-5-12-11(8-14-10(2)3)9-15-13(16-12)6-7-17-4/h9-10,14H,5-8H2,1-4H3
InChIKeyGNMMYVQYPSOELX-UHFFFAOYSA-N
XLogP1.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine
CID 114206901
N-[[4-ethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine
CID 114206730
5-(bromomethyl)-2-[2-(2-methoxyethoxy)ethyl]-4-propylpyrimidine
CID 114205686
N-[[2-(2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methyl]propan-2-amine
CID 114206828
N-[(5-methylpyrimidin-2-yl)methyl]propan-2-amine
CID 63321476
N-[[4-cyclopropyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 114206897
2-(2-methoxyethyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid
CID 53215000
N-(2-methoxyethyl)-4-[(propan-2-ylamino)methyl]isoquinolin-1-amine
CID 106776846
N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 106667482
N-(1-methoxypropan-2-yl)-N,2-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81246806
N-[(2-propylpyrimidin-5-yl)methyl]propan-2-amine
CID 62756774
ethyl 4-ethyl-2-[2-(2-methoxyethoxy)ethyl]pyrimidine-5-carboxylate
CID 102972911

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-ethyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine (CID 114206739) is N-[[4-ethyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-ethyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-ethyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine is CCc1nc(CCOC)ncc1CNC(C)C.
What is the InChIKey of N-[[4-ethyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is GNMMYVQYPSOELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-12-11(8-14-10(2)3)9-15-13(16-12)6-7-17-4/h9-10,14H,5-8H2,1-4H3.
What are the key properties of N-[[4-ethyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine?
N-[[4-ethyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114206739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).