1-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]imidazolidin-2-one;propane

C23H29N5O2 — CID 145372276

IUPAC1-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]imidazolidin-2-one;propane
SMILESCCC.COc1ccc2cc(C(C)Nc3nccc(N4CCNC4=O)n3)ccc2c1
InChIInChI=1S/C20H21N5O2.C3H8/c1-13(14-3-4-16-12-17(27-2)6-5-15(16)11-14)23-19-21-8-7-18(24-19)25-10-9-22-20(25)26;1-3-2/h3-8,11-13H,9-10H2,1-2H3,(H,22,26)(H,21,23,24);3H2,1-2H3
InChIKeyAZMJBOIHZUSQHU-UHFFFAOYSA-N
MW407.52 g/mol
LogP4.76
Rot. Bonds5

About 1-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]imidazolidin-2-one;propane

1-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]imidazolidin-2-one;propane (PubChem CID 145372276) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 1-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]imidazolidin-2-one;propane.

Molecular Properties

Compound Name1-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]imidazolidin-2-one;propane
PubChem CID145372276
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name1-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]imidazolidin-2-one;propane
SMILESCCC.COc1ccc2cc(C(C)Nc3nccc(N4CCNC4=O)n3)ccc2c1
InChIInChI=1S/C20H21N5O2.C3H8/c1-13(14-3-4-16-12-17(27-2)6-5-15(16)11-14)23-19-21-8-7-18(24-19)25-10-9-22-20(25)26;1-3-2/h3-8,11-13H,9-10H2,1-2H3,(H,22,26)(H,21,23,24);3H2,1-2H3
InChIKeyAZMJBOIHZUSQHU-UHFFFAOYSA-N
XLogP4.76
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 130274237
3-[2-[[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]amino]pyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 90349524
3-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 123897635
(4S)-3-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89490149
1-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]imidazolidin-2-one
CID 18342791
1-[2-[1-[5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]pyrimidin-4-yl]imidazolidin-2-one
CID 130469687
(4S)-3-[2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489738
N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine
CID 23154308
(4S)-3-[2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 89490002
3-[2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 130285227
4-(5-methoxybenzimidazol-1-yl)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 59924945
(4S)-3-[2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrimidin-4-yl]-4,5,5-trimethyl-1,3-oxazolidin-2-one
CID 130285128

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]imidazolidin-2-one;propane?
The IUPAC name of 1-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]imidazolidin-2-one;propane (CID 145372276) is 1-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]imidazolidin-2-one;propane.
What is the SMILES notation for 1-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]imidazolidin-2-one;propane?
The canonical SMILES for 1-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]imidazolidin-2-one;propane is CCC.COc1ccc2cc(C(C)Nc3nccc(N4CCNC4=O)n3)ccc2c1.
What is the InChIKey of 1-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]imidazolidin-2-one;propane?
The InChIKey is AZMJBOIHZUSQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2.C3H8/c1-13(14-3-4-16-12-17(27-2)6-5-15(16)11-14)23-19-21-8-7-18(24-19)25-10-9-22-20(25)26;1-3-2/h3-8,11-13H,9-10H2,1-2H3,(H,22,26)(H,21,23,24);3H2,1-2H3.
What are the key properties of 1-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]imidazolidin-2-one;propane?
1-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]imidazolidin-2-one;propane has a molecular weight of 407.52 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(6-methoxynaphthalen-2-yl)ethylamino]pyrimidin-4-yl]imidazolidin-2-one;propane is sourced from PubChem (CID 145372276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).