3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide

C17H25N5O2 — CID 46985658

IUPAC3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide
SMILESCCCN(Cc1nccn1C)C(=O)CCn1c(C)cc(C)nc1=O
InChIInChI=1S/C17H25N5O2/c1-5-8-21(12-15-18-7-10-20(15)4)16(23)6-9-22-14(3)11-13(2)19-17(22)24/h7,10-11H,5-6,8-9,12H2,1-4H3
InChIKeyLXTTYGIYJIWANG-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.42
Rot. Bonds7

About 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide

3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide (PubChem CID 46985658) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide
PubChem CID46985658
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide
SMILESCCCN(Cc1nccn1C)C(=O)CCn1c(C)cc(C)nc1=O
InChIInChI=1S/C17H25N5O2/c1-5-8-21(12-15-18-7-10-20(15)4)16(23)6-9-22-14(3)11-13(2)19-17(22)24/h7,10-11H,5-6,8-9,12H2,1-4H3
InChIKeyLXTTYGIYJIWANG-UHFFFAOYSA-N
XLogP1.42
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-tert-butyl-N-ethyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-2-oxo-2,3-dihydropyrimidine-4-carboxamide
CID 90650157
N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 132304801
3-(2-ethylimidazol-1-yl)-1-[(2S)-2-propyl-2,5-dihydropyrrol-1-yl]propan-1-one
CID 164633652
N-({1-[(1-isopropyl-1H-imidazol-2-yl)methyl]-1,2,5,6-tetrahydropyridin-3-yl}methyl)acetamide
CID 50976258
(2R*,6R*)-2-allyl-1-[(2-ethyl-1H-imidazol-1-yl)acetyl]-6-methyl-1,2,3,6-tetrahydropyridine
CID 56871766
1-Imidazol-1-yldocosa-4,7,10,13,16,19-hexaen-1-one
CID 54386227
1-Imidazol-1-ylnon-3-en-1-one
CID 58711559
(E)-1-imidazol-1-ylpent-3-en-1-one
CID 59547586
(Z)-1-imidazol-1-yloct-3-en-1-one
CID 59547618
6H-imidazo[1,2-a]pyridin-5-one
CID 67917744
1-[5-(dimethylamino)-3,6-dihydro-2H-pyridin-1-yl]-3-(1-propan-2-ylimidazol-2-yl)propan-1-one
CID 134220718
tert-butyl 4-(2-methylimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide?
The IUPAC name of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide (CID 46985658) is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide is CCCN(Cc1nccn1C)C(=O)CCn1c(C)cc(C)nc1=O.
What is the InChIKey of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide?
The InChIKey is LXTTYGIYJIWANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-5-8-21(12-15-18-7-10-20(15)4)16(23)6-9-22-14(3)11-13(2)19-17(22)24/h7,10-11H,5-6,8-9,12H2,1-4H3.
What are the key properties of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide?
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide has a molecular weight of 331.42 g/mol, XLogP of 1.42, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide is sourced from PubChem (CID 46985658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).