(4R)-2'-amino-2,2,3'-trimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one

C19H21N5O — CID 66684136

IUPAC(4R)-2'-amino-2,2,3'-trimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one
SMILESCN1C(=O)[C@]2(CC(C)(C)Cc3ccc(-c4cncnc4)cc32)N=C1N
InChIInChI=1S/C19H21N5O/c1-18(2)7-13-5-4-12(14-8-21-11-22-9-14)6-15(13)19(10-18)16(25)24(3)17(20)23-19/h4-6,8-9,11H,7,10H2,1-3H3,(H2,20,23)/t19-/m1/s1
InChIKeyUPOMBIAVTOFWMY-LJQANCHMSA-N
MW335.41 g/mol
LogP2.10
Rot. Bonds1

About (4R)-2'-amino-2,2,3'-trimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one

(4R)-2'-amino-2,2,3'-trimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one (PubChem CID 66684136) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is (4R)-2'-amino-2,2,3'-trimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one.

Molecular Properties

Compound Name(4R)-2'-amino-2,2,3'-trimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one
PubChem CID66684136
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name(4R)-2'-amino-2,2,3'-trimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one
SMILESCN1C(=O)[C@]2(CC(C)(C)Cc3ccc(-c4cncnc4)cc32)N=C1N
InChIInChI=1S/C19H21N5O/c1-18(2)7-13-5-4-12(14-8-21-11-22-9-14)6-15(13)19(10-18)16(25)24(3)17(20)23-19/h4-6,8-9,11H,7,10H2,1-3H3,(H2,20,23)/t19-/m1/s1
InChIKeyUPOMBIAVTOFWMY-LJQANCHMSA-N
XLogP2.10
TPSA84.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-2'-amino-2,2,3'-trimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one?
The IUPAC name of (4R)-2'-amino-2,2,3'-trimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one (CID 66684136) is (4R)-2'-amino-2,2,3'-trimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one.
What is the SMILES notation for (4R)-2'-amino-2,2,3'-trimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one?
The canonical SMILES for (4R)-2'-amino-2,2,3'-trimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one is CN1C(=O)[C@]2(CC(C)(C)Cc3ccc(-c4cncnc4)cc32)N=C1N.
What is the InChIKey of (4R)-2'-amino-2,2,3'-trimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one?
The InChIKey is UPOMBIAVTOFWMY-LJQANCHMSA-N. The full InChI is InChI=1S/C19H21N5O/c1-18(2)7-13-5-4-12(14-8-21-11-22-9-14)6-15(13)19(10-18)16(25)24(3)17(20)23-19/h4-6,8-9,11H,7,10H2,1-3H3,(H2,20,23)/t19-/m1/s1.
What are the key properties of (4R)-2'-amino-2,2,3'-trimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one?
(4R)-2'-amino-2,2,3'-trimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one has a molecular weight of 335.41 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2'-amino-2,2,3'-trimethyl-6-pyrimidin-5-ylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one is sourced from PubChem (CID 66684136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).