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

C13H22N4O — CID 113388001

IUPACN-[[2-(2-methylmorpholin-4-yl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCOC(C)C2)nc1
InChIInChI=1S/C13H22N4O/c1-3-4-14-7-12-8-15-13(16-9-12)17-5-6-18-11(2)10-17/h8-9,11,14H,3-7,10H2,1-2H3
InChIKeyBFEIJVNFZPGKRY-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.20
Rot. Bonds5

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

N-[[2-(2-methylmorpholin-4-yl)pyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 113388001) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[[2-(2-methylmorpholin-4-yl)pyrimidin-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-methylmorpholin-4-yl)pyrimidin-5-yl]methyl]propan-1-amine
PubChem CID113388001
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[[2-(2-methylmorpholin-4-yl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCOC(C)C2)nc1
InChIInChI=1S/C13H22N4O/c1-3-4-14-7-12-8-15-13(16-9-12)17-5-6-18-11(2)10-17/h8-9,11,14H,3-7,10H2,1-2H3
InChIKeyBFEIJVNFZPGKRY-UHFFFAOYSA-N
XLogP1.20
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[6-methyl-4-[5-(propylaminomethyl)pyrimidin-2-yl]morpholin-2-yl]methanol
CID 102933644
N-[(2-thiomorpholin-4-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 113388026
N-[[2-(4-ethylmorpholin-2-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 79669924
N-[[4-methyl-2-(2-methylmorpholin-4-yl)pyrimidin-5-yl]methyl]ethanamine
CID 83185479
N-[[4-tert-butyl-2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62765352
1-[(2R)-4-ethylmorpholin-2-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine
CID 95328397
N-[[3-[2-(2-methylmorpholin-4-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62438935
2-methyl-N-[[4-methyl-2-(2-methylmorpholin-4-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 83185230
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 113388147
N-[[6-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]methyl]propan-1-amine
CID 62972131
N-[[5-(2-methyl-1,4-oxazepan-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106961117
3-methoxy-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 102536443

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylmorpholin-4-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-methylmorpholin-4-yl)pyrimidin-5-yl]methyl]propan-1-amine (CID 113388001) is N-[[2-(2-methylmorpholin-4-yl)pyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-methylmorpholin-4-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-methylmorpholin-4-yl)pyrimidin-5-yl]methyl]propan-1-amine is CCCNCc1cnc(N2CCOC(C)C2)nc1.
What is the InChIKey of N-[[2-(2-methylmorpholin-4-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is BFEIJVNFZPGKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-4-14-7-12-8-15-13(16-9-12)17-5-6-18-11(2)10-17/h8-9,11,14H,3-7,10H2,1-2H3.
What are the key properties of N-[[2-(2-methylmorpholin-4-yl)pyrimidin-5-yl]methyl]propan-1-amine?
N-[[2-(2-methylmorpholin-4-yl)pyrimidin-5-yl]methyl]propan-1-amine has a molecular weight of 250.35 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylmorpholin-4-yl)pyrimidin-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 113388001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).