6-amino-1-ethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione

C14H25N5O2 — CID 60965218

IUPAC6-amino-1-ethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione
SMILESCCn1c(N)c(NCCN2CCC(C)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H25N5O2/c1-3-19-12(15)11(13(20)17-14(19)21)16-6-9-18-7-4-10(2)5-8-18/h10,16H,3-9,15H2,1-2H3,(H,17,20,21)
InChIKeyOGKLFOZUDDYUAJ-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.28
Rot. Bonds5

About 6-amino-1-ethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione

6-amino-1-ethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione (PubChem CID 60965218) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione
PubChem CID60965218
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name6-amino-1-ethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione
SMILESCCn1c(N)c(NCCN2CCC(C)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H25N5O2/c1-3-19-12(15)11(13(20)17-14(19)21)16-6-9-18-7-4-10(2)5-8-18/h10,16H,3-9,15H2,1-2H3,(H,17,20,21)
InChIKeyOGKLFOZUDDYUAJ-UHFFFAOYSA-N
XLogP0.28
TPSA96.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione (CID 60965218) is 6-amino-1-ethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione is CCn1c(N)c(NCCN2CCC(C)CC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione?
The InChIKey is OGKLFOZUDDYUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-3-19-12(15)11(13(20)17-14(19)21)16-6-9-18-7-4-10(2)5-8-18/h10,16H,3-9,15H2,1-2H3,(H,17,20,21).
What are the key properties of 6-amino-1-ethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione?
6-amino-1-ethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione has a molecular weight of 295.39 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 60965218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).