1-[2,6-bis(diethylamino)-4H-pyrimidin-3-yl]ethanone

C14H26N4O — CID 19009687

IUPAC1-[2,6-bis(diethylamino)-4H-pyrimidin-3-yl]ethanone
SMILESCCN(CC)C1=CCN(C(C)=O)C(N(CC)CC)=N1
InChIInChI=1S/C14H26N4O/c1-6-16(7-2)13-10-11-18(12(5)19)14(15-13)17(8-3)9-4/h10H,6-9,11H2,1-5H3
InChIKeyFWFWKGVHRATKSW-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.73
Rot. Bonds5

About 1-[2,6-bis(diethylamino)-4H-pyrimidin-3-yl]ethanone

1-[2,6-bis(diethylamino)-4H-pyrimidin-3-yl]ethanone (PubChem CID 19009687) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[2,6-bis(diethylamino)-4H-pyrimidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[2,6-bis(diethylamino)-4H-pyrimidin-3-yl]ethanone
PubChem CID19009687
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-[2,6-bis(diethylamino)-4H-pyrimidin-3-yl]ethanone
SMILESCCN(CC)C1=CCN(C(C)=O)C(N(CC)CC)=N1
InChIInChI=1S/C14H26N4O/c1-6-16(7-2)13-10-11-18(12(5)19)14(15-13)17(8-3)9-4/h10H,6-9,11H2,1-5H3
InChIKeyFWFWKGVHRATKSW-UHFFFAOYSA-N
XLogP1.73
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-bis(diethylamino)-4H-pyrimidin-3-yl]ethanone?
The IUPAC name of 1-[2,6-bis(diethylamino)-4H-pyrimidin-3-yl]ethanone (CID 19009687) is 1-[2,6-bis(diethylamino)-4H-pyrimidin-3-yl]ethanone.
What is the SMILES notation for 1-[2,6-bis(diethylamino)-4H-pyrimidin-3-yl]ethanone?
The canonical SMILES for 1-[2,6-bis(diethylamino)-4H-pyrimidin-3-yl]ethanone is CCN(CC)C1=CCN(C(C)=O)C(N(CC)CC)=N1.
What is the InChIKey of 1-[2,6-bis(diethylamino)-4H-pyrimidin-3-yl]ethanone?
The InChIKey is FWFWKGVHRATKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-6-16(7-2)13-10-11-18(12(5)19)14(15-13)17(8-3)9-4/h10H,6-9,11H2,1-5H3.
What are the key properties of 1-[2,6-bis(diethylamino)-4H-pyrimidin-3-yl]ethanone?
1-[2,6-bis(diethylamino)-4H-pyrimidin-3-yl]ethanone has a molecular weight of 266.39 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-bis(diethylamino)-4H-pyrimidin-3-yl]ethanone is sourced from PubChem (CID 19009687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).