5-ethyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidine-2,4-dione

C15H27N3O2 — CID 66328160

IUPAC5-ethyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidine-2,4-dione
SMILESCCc1cn(CCNC(C)CCC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C15H27N3O2/c1-5-13-10-18(15(20)17-14(13)19)9-8-16-12(4)7-6-11(2)3/h10-12,16H,5-9H2,1-4H3,(H,17,19,20)
InChIKeyYHRBOOHTKLOSCL-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.51
Rot. Bonds8

About 5-ethyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidine-2,4-dione

5-ethyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidine-2,4-dione (PubChem CID 66328160) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-ethyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidine-2,4-dione
PubChem CID66328160
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name5-ethyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidine-2,4-dione
SMILESCCc1cn(CCNC(C)CCC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C15H27N3O2/c1-5-13-10-18(15(20)17-14(13)19)9-8-16-12(4)7-6-11(2)3/h10-12,16H,5-9H2,1-4H3,(H,17,19,20)
InChIKeyYHRBOOHTKLOSCL-UHFFFAOYSA-N
XLogP1.51
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidine-2,4-dione (CID 66328160) is 5-ethyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidine-2,4-dione is CCc1cn(CCNC(C)CCC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidine-2,4-dione?
The InChIKey is YHRBOOHTKLOSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-5-13-10-18(15(20)17-14(13)19)9-8-16-12(4)7-6-11(2)3/h10-12,16H,5-9H2,1-4H3,(H,17,19,20).
What are the key properties of 5-ethyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidine-2,4-dione?
5-ethyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidine-2,4-dione has a molecular weight of 281.40 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66328160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).