5-methyl-1-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentyl]pyrimidine-2,4-dione

C14H22N4O2 — CID 10778980

IUPAC5-methyl-1-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentyl]pyrimidine-2,4-dione
SMILESCc1cn(CCCCCC2=NCCCN2)c(=O)[nH]c1=O
InChIInChI=1S/C14H22N4O2/c1-11-10-18(14(20)17-13(11)19)9-4-2-3-6-12-15-7-5-8-16-12/h10H,2-9H2,1H3,(H,15,16)(H,17,19,20)
InChIKeyBXKNEKVHNPLTFJ-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.80
Rot. Bonds6

About 5-methyl-1-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentyl]pyrimidine-2,4-dione

5-methyl-1-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentyl]pyrimidine-2,4-dione (PubChem CID 10778980) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-methyl-1-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentyl]pyrimidine-2,4-dione
PubChem CID10778980
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name5-methyl-1-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentyl]pyrimidine-2,4-dione
SMILESCc1cn(CCCCCC2=NCCCN2)c(=O)[nH]c1=O
InChIInChI=1S/C14H22N4O2/c1-11-10-18(14(20)17-13(11)19)9-4-2-3-6-12-15-7-5-8-16-12/h10H,2-9H2,1H3,(H,15,16)(H,17,19,20)
InChIKeyBXKNEKVHNPLTFJ-UHFFFAOYSA-N
XLogP0.80
TPSA79.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(6-Ethyl-1,4,5,6-tetrahydropyrimidin-2-yl)methyl]-5-methylpyrimidine-2,4-dione;hydrochloride
CID 394416
5-Methyl-1-(1,4,5,6-tetrahydropyrimidin-2-ylmethyl)pyrimidine-2,4-dione
CID 394413
1-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylmethyl)-5-methylpyrimidine-2,4-dione;hydrochloride
CID 394410
5-Methyl-1-(1,4,5,6-tetrahydropyrimidin-2-ylmethyl)pyrimidine-2,4-dione;hydrochloride
CID 394412
1-(4,5-Dihydro-1h-imidazol-2-ylmethyl)-5-methyl-pyrimidine-2,4-dione
CID 394405
1-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylmethyl)-5-methyl-pyrimidine-2,4-dione
CID 394411
1-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)methyl]-5-methylpyrimidine-2,4-dione;hydrochloride
CID 394414
1-[(5,5-Dimethyl-4,6-dihydro-1h-pyrimidin-2-yl)methyl]-5-methyl-pyrimidine-2,4-dione
CID 394415
1-[(6-Ethyl-1,4,5,6-tetrahydropyrimidin-2-yl)methyl]-5-methyl-pyrimidine-2,4-dione
CID 394417
5-Methyl-1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)propyl]pyrimidine-2,4-dione;hydrochloride
CID 396431
5-Methyl-1-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)hexyl]pyrimidine-2,4-dione;hydrochloride
CID 396433
5-Methyl-1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)butyl]pyrimidine-2,4-dione;hydrochloride
CID 396437

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentyl]pyrimidine-2,4-dione (CID 10778980) is 5-methyl-1-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentyl]pyrimidine-2,4-dione is Cc1cn(CCCCCC2=NCCCN2)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentyl]pyrimidine-2,4-dione?
The InChIKey is BXKNEKVHNPLTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11-10-18(14(20)17-13(11)19)9-4-2-3-6-12-15-7-5-8-16-12/h10H,2-9H2,1H3,(H,15,16)(H,17,19,20).
What are the key properties of 5-methyl-1-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentyl]pyrimidine-2,4-dione?
5-methyl-1-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentyl]pyrimidine-2,4-dione has a molecular weight of 278.36 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentyl]pyrimidine-2,4-dione is sourced from PubChem (CID 10778980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).