N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]propanamide

C13H21N5O2 — CID 121137362

IUPACN-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]propanamide
SMILESCCC(=O)Nc1cnc(N2CCOCC2)nc1N(C)C
InChIInChI=1S/C13H21N5O2/c1-4-11(19)15-10-9-14-13(16-12(10)17(2)3)18-5-7-20-8-6-18/h9H,4-8H2,1-3H3,(H,15,19)
InChIKeyBLLVFPLWTQCFGH-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.73
Rot. Bonds4

About N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]propanamide

N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]propanamide (PubChem CID 121137362) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]propanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]propanamide
PubChem CID121137362
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]propanamide
SMILESCCC(=O)Nc1cnc(N2CCOCC2)nc1N(C)C
InChIInChI=1S/C13H21N5O2/c1-4-11(19)15-10-9-14-13(16-12(10)17(2)3)18-5-7-20-8-6-18/h9H,4-8H2,1-3H3,(H,15,19)
InChIKeyBLLVFPLWTQCFGH-UHFFFAOYSA-N
XLogP0.73
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]acetamide
CID 122320498
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-2-(2-methoxyphenoxy)acetamide
CID 122320438
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-4-methylbenzamide
CID 91969402
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]pyrazine-2-carboxamide
CID 121137369
1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,5-dimethylphenyl)urea
CID 91966490
3-chloro-N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]benzamide
CID 91969413
1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122320623
2-cyclopentyl-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide
CID 122319908
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-methoxybenzamide
CID 91969406
2-cyclopentyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide
CID 122320170
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 122320418
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122320015

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]propanamide?
The IUPAC name of N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]propanamide (CID 121137362) is N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]propanamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]propanamide?
The canonical SMILES for N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]propanamide is CCC(=O)Nc1cnc(N2CCOCC2)nc1N(C)C.
What is the InChIKey of N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]propanamide?
The InChIKey is BLLVFPLWTQCFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-4-11(19)15-10-9-14-13(16-12(10)17(2)3)18-5-7-20-8-6-18/h9H,4-8H2,1-3H3,(H,15,19).
What are the key properties of N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]propanamide?
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]propanamide has a molecular weight of 279.34 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]propanamide is sourced from PubChem (CID 121137362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).