1,3-dimethyl-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]pyrimidine-2,4-dione

C17H21N5O2 — CID 119126551

IUPAC1,3-dimethyl-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]pyrimidine-2,4-dione
SMILESCc1nc2ccccc2n1CCNCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C17H21N5O2/c1-12-19-14-6-4-5-7-15(14)22(12)9-8-18-10-13-11-20(2)17(24)21(3)16(13)23/h4-7,11,18H,8-10H2,1-3H3
InChIKeyRPHVCBKSWONFEH-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.53
Rot. Bonds5

About 1,3-dimethyl-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]pyrimidine-2,4-dione

1,3-dimethyl-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]pyrimidine-2,4-dione (PubChem CID 119126551) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]pyrimidine-2,4-dione
PubChem CID119126551
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1,3-dimethyl-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]pyrimidine-2,4-dione
SMILESCc1nc2ccccc2n1CCNCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C17H21N5O2/c1-12-19-14-6-4-5-7-15(14)22(12)9-8-18-10-13-11-20(2)17(24)21(3)16(13)23/h4-7,11,18H,8-10H2,1-3H3
InChIKeyRPHVCBKSWONFEH-UHFFFAOYSA-N
XLogP0.53
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine
CID 62345537
N',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 60697290
2-(2-methylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 28712943
2-(2-methylbenzimidazol-1-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66410022
2-(2-methylbenzimidazol-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 62749627
3-(2-methylbenzimidazol-1-yl)propanal
CID 63041699
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine
CID 102831213
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
2-methoxy-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenol
CID 51073480
1,3-dimethyl-5-[[(4-methylphenyl)methylamino]methyl]pyrimidine-2,4-dione
CID 28618755
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]pyrimidine-2,4-dione (CID 119126551) is 1,3-dimethyl-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]pyrimidine-2,4-dione is Cc1nc2ccccc2n1CCNCc1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]pyrimidine-2,4-dione?
The InChIKey is RPHVCBKSWONFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-19-14-6-4-5-7-15(14)22(12)9-8-18-10-13-11-20(2)17(24)21(3)16(13)23/h4-7,11,18H,8-10H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]pyrimidine-2,4-dione has a molecular weight of 327.39 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 119126551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).