4-[3-(diethylamino)propyl-ethylamino]-5-methoxy-1H-pyrimidin-6-one

C14H26N4O2 — CID 136752208

IUPAC4-[3-(diethylamino)propyl-ethylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCN(CC)CCCN(CC)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C14H26N4O2/c1-5-17(6-2)9-8-10-18(7-3)13-12(20-4)14(19)16-11-15-13/h11H,5-10H2,1-4H3,(H,15,16,19)
InChIKeyLYEBDQCKBICSCP-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.34
Rot. Bonds9

About 4-[3-(diethylamino)propyl-ethylamino]-5-methoxy-1H-pyrimidin-6-one

4-[3-(diethylamino)propyl-ethylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136752208) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-[3-(diethylamino)propyl-ethylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(diethylamino)propyl-ethylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136752208
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name4-[3-(diethylamino)propyl-ethylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCN(CC)CCCN(CC)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C14H26N4O2/c1-5-17(6-2)9-8-10-18(7-3)13-12(20-4)14(19)16-11-15-13/h11H,5-10H2,1-4H3,(H,15,16,19)
InChIKeyLYEBDQCKBICSCP-UHFFFAOYSA-N
XLogP1.34
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136728235
5-methoxy-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819405
4-[2-aminoethyl(2,2-difluoroethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136932126
5-methoxy-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136975607
4-[(3-amino-2,2-difluoropropyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136979148
5-methoxy-4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 137009210
4-[ethyl(2,2,2-trifluoroethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009244
5-methoxy-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 137009783
4-[2,2-difluoroethyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009953
4-(2-fluoroethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 137267632
4-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973502
5-methoxy-4-[methyl(propyl)amino]-1H-pyrimidin-6-one
CID 137009086

Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)propyl-ethylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(diethylamino)propyl-ethylamino]-5-methoxy-1H-pyrimidin-6-one (CID 136752208) is 4-[3-(diethylamino)propyl-ethylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(diethylamino)propyl-ethylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(diethylamino)propyl-ethylamino]-5-methoxy-1H-pyrimidin-6-one is CCN(CC)CCCN(CC)c1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-[3-(diethylamino)propyl-ethylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is LYEBDQCKBICSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-5-17(6-2)9-8-10-18(7-3)13-12(20-4)14(19)16-11-15-13/h11H,5-10H2,1-4H3,(H,15,16,19).
What are the key properties of 4-[3-(diethylamino)propyl-ethylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[3-(diethylamino)propyl-ethylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 282.39 g/mol, XLogP of 1.34, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)propyl-ethylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136752208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).