1-ethyl-3-methyl-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]pyrimidine-2,4-dione

C19H29N7O2 — CID 59144900

IUPAC1-ethyl-3-methyl-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]pyrimidine-2,4-dione
SMILESCCn1c(NCCCCN2CCN(c3ncccn3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H29N7O2/c1-3-26-16(15-17(27)23(2)19(26)28)20-7-4-5-10-24-11-13-25(14-12-24)18-21-8-6-9-22-18/h6,8-9,15,20H,3-5,7,10-14H2,1-2H3
InChIKeyPXRMQODBTQMLFI-UHFFFAOYSA-N
MW387.49 g/mol
LogP0.37
Rot. Bonds8

About 1-ethyl-3-methyl-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]pyrimidine-2,4-dione

1-ethyl-3-methyl-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]pyrimidine-2,4-dione (PubChem CID 59144900) has the molecular formula C19H29N7O2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 1-ethyl-3-methyl-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-methyl-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]pyrimidine-2,4-dione
PubChem CID59144900
Molecular FormulaC19H29N7O2
Molecular Weight387.49 g/mol
Exact Mass387.24
IUPAC Name1-ethyl-3-methyl-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]pyrimidine-2,4-dione
SMILESCCn1c(NCCCCN2CCN(c3ncccn3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H29N7O2/c1-3-26-16(15-17(27)23(2)19(26)28)20-7-4-5-10-24-11-13-25(14-12-24)18-21-8-6-9-22-18/h6,8-9,15,20H,3-5,7,10-14H2,1-2H3
InChIKeyPXRMQODBTQMLFI-UHFFFAOYSA-N
XLogP0.37
TPSA88.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-methyl-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]pyrimidine-2,4-dione with MolForge

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Related Compounds

N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]methanesulfonamide
CID 13318066
tert-butyl N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]carbamate
CID 164715475
N'-ethyl-N'-pyrimidin-2-yl-N-[12-(4-pyrimidin-2-ylpiperazin-1-yl)dodecyl]ethane-1,2-diamine
CID 176837206
N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine
CID 60853273
2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine
CID 55070558
5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
CID 28972374
2-(methylamino)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide;hydrochloride
CID 120703590
4-tert-butyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39539439
ethyl 6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]pyridine-3-carboxylate
CID 32800686
ethanol;8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
CID 67603403
2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine
CID 171069544
3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 31413337

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-3-methyl-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]pyrimidine-2,4-dione (CID 59144900) is 1-ethyl-3-methyl-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-methyl-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-methyl-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]pyrimidine-2,4-dione is CCn1c(NCCCCN2CCN(c3ncccn3)CC2)cc(=O)n(C)c1=O.
What is the InChIKey of 1-ethyl-3-methyl-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]pyrimidine-2,4-dione?
The InChIKey is PXRMQODBTQMLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O2/c1-3-26-16(15-17(27)23(2)19(26)28)20-7-4-5-10-24-11-13-25(14-12-24)18-21-8-6-9-22-18/h6,8-9,15,20H,3-5,7,10-14H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]pyrimidine-2,4-dione?
1-ethyl-3-methyl-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]pyrimidine-2,4-dione has a molecular weight of 387.49 g/mol, XLogP of 0.37, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 59144900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).