2-[di(ethyl)amino]-4-[1-[(4-prop-2-ynoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one;uranium(2+)

C23H28N4O2U — CID 159853877

IUPAC2-[di(ethyl)amino]-4-[1-[(4-prop-2-ynoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one;uranium(2+)
SMILESC#CCOc1ccc(CN2CCC(c3cc(=O)[nH]c(N(C[CH2-])C[CH2-])n3)CC2)cc1.[U+2]
InChIInChI=1S/C23H28N4O2.U/c1-4-15-29-20-9-7-18(8-10-20)17-26-13-11-19(12-14-26)21-16-22(28)25-23(24-21)27(5-2)6-3;/h1,7-10,16,19H,2-3,5-6,11-15,17H2,(H,24,25,28);/q-2;+2
InChIKeyRWYFZYPUDWQICU-UHFFFAOYSA-N
MW630.53 g/mol
LogP2.64
Rot. Bonds8

About 2-[di(ethyl)amino]-4-[1-[(4-prop-2-ynoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one;uranium(2+)

2-[di(ethyl)amino]-4-[1-[(4-prop-2-ynoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one;uranium(2+) (PubChem CID 159853877) has the molecular formula C23H28N4O2U and a molecular weight of 630.53 g/mol. Its IUPAC name is 2-[di(ethyl)amino]-4-[1-[(4-prop-2-ynoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one;uranium(2+).

Molecular Properties

Compound Name2-[di(ethyl)amino]-4-[1-[(4-prop-2-ynoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one;uranium(2+)
PubChem CID159853877
Molecular FormulaC23H28N4O2U
Molecular Weight630.53 g/mol
Exact Mass630.27
IUPAC Name2-[di(ethyl)amino]-4-[1-[(4-prop-2-ynoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one;uranium(2+)
SMILESC#CCOc1ccc(CN2CCC(c3cc(=O)[nH]c(N(C[CH2-])C[CH2-])n3)CC2)cc1.[U+2]
InChIInChI=1S/C23H28N4O2.U/c1-4-15-29-20-9-7-18(8-10-20)17-26-13-11-19(12-14-26)21-16-22(28)25-23(24-21)27(5-2)6-3;/h1,7-10,16,19H,2-3,5-6,11-15,17H2,(H,24,25,28);/q-2;+2
InChIKeyRWYFZYPUDWQICU-UHFFFAOYSA-N
XLogP2.64
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500630.53
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[di(ethyl)amino]-4-[1-[(4-prop-2-ynoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one;uranium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[di(ethyl)amino]-4-[1-[(4-prop-2-ynoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one;uranium(2+)?
The IUPAC name of 2-[di(ethyl)amino]-4-[1-[(4-prop-2-ynoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one;uranium(2+) (CID 159853877) is 2-[di(ethyl)amino]-4-[1-[(4-prop-2-ynoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one;uranium(2+).
What is the SMILES notation for 2-[di(ethyl)amino]-4-[1-[(4-prop-2-ynoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one;uranium(2+)?
The canonical SMILES for 2-[di(ethyl)amino]-4-[1-[(4-prop-2-ynoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one;uranium(2+) is C#CCOc1ccc(CN2CCC(c3cc(=O)[nH]c(N(C[CH2-])C[CH2-])n3)CC2)cc1.[U+2].
What is the InChIKey of 2-[di(ethyl)amino]-4-[1-[(4-prop-2-ynoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one;uranium(2+)?
The InChIKey is RWYFZYPUDWQICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2.U/c1-4-15-29-20-9-7-18(8-10-20)17-26-13-11-19(12-14-26)21-16-22(28)25-23(24-21)27(5-2)6-3;/h1,7-10,16,19H,2-3,5-6,11-15,17H2,(H,24,25,28);/q-2;+2.
What are the key properties of 2-[di(ethyl)amino]-4-[1-[(4-prop-2-ynoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one;uranium(2+)?
2-[di(ethyl)amino]-4-[1-[(4-prop-2-ynoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one;uranium(2+) has a molecular weight of 630.53 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(ethyl)amino]-4-[1-[(4-prop-2-ynoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one;uranium(2+) is sourced from PubChem (CID 159853877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).