N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-phenylbutanamide

C18H24N4O — CID 91966981

IUPACN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCc1nc(C)cc(N(C)C)n1)c1ccccc1
InChIInChI=1S/C18H24N4O/c1-5-15(14-9-7-6-8-10-14)18(23)19-12-16-20-13(2)11-17(21-16)22(3)4/h6-11,15H,5,12H2,1-4H3,(H,19,23)
InChIKeyMKLCHJSGNHRALN-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.66
Rot. Bonds6

About N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-phenylbutanamide

N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-phenylbutanamide (PubChem CID 91966981) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-phenylbutanamide
PubChem CID91966981
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCc1nc(C)cc(N(C)C)n1)c1ccccc1
InChIInChI=1S/C18H24N4O/c1-5-15(14-9-7-6-8-10-14)18(23)19-12-16-20-13(2)11-17(21-16)22(3)4/h6-11,15H,5,12H2,1-4H3,(H,19,23)
InChIKeyMKLCHJSGNHRALN-UHFFFAOYSA-N
XLogP2.66
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-phenylbutanamide
CID 122324495
(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenylbutanamide
CID 51658349
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 122322239
N-[(3-aminophenyl)methyl]-2-phenylbutanamide
CID 62499796
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiophene-2-carboxamide
CID 122322257
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methoxypyridine-3-carboxamide
CID 122322313
5-bromo-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]pyridine-3-carboxamide
CID 122322208
(2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide
CID 40538690
N-(2-bromoethyl)-2-phenylbutanamide
CID 4632577
(2R)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylbutanamide
CID 95062352
3-(3-chlorophenyl)-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]propanamide
CID 122322284
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-nitrobenzamide
CID 122322439

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-phenylbutanamide?
The IUPAC name of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-phenylbutanamide (CID 91966981) is N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-phenylbutanamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-phenylbutanamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-phenylbutanamide is CCC(C(=O)NCc1nc(C)cc(N(C)C)n1)c1ccccc1.
What is the InChIKey of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-phenylbutanamide?
The InChIKey is MKLCHJSGNHRALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-5-15(14-9-7-6-8-10-14)18(23)19-12-16-20-13(2)11-17(21-16)22(3)4/h6-11,15H,5,12H2,1-4H3,(H,19,23).
What are the key properties of N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-phenylbutanamide?
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-phenylbutanamide has a molecular weight of 312.42 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-phenylbutanamide is sourced from PubChem (CID 91966981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).