1'-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylspiro[chromene-2,4'-piperidine]

C30H27N3O — CID 108773033

IUPAC1'-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylspiro[chromene-2,4'-piperidine]
SMILESCc1nc(-c2ccccc2)cc(N2CCC3(C=Cc4cc(-c5ccccc5)ccc4O3)CC2)n1
InChIInChI=1S/C30H27N3O/c1-22-31-27(24-10-6-3-7-11-24)21-29(32-22)33-18-16-30(17-19-33)15-14-26-20-25(12-13-28(26)34-30)23-8-4-2-5-9-23/h2-15,20-21H,16-19H2,1H3
InChIKeyCEFVLTFTPNHOBO-UHFFFAOYSA-N
MW445.57 g/mol
LogP6.56
Rot. Bonds3

About 1'-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylspiro[chromene-2,4'-piperidine]

1'-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylspiro[chromene-2,4'-piperidine] (PubChem CID 108773033) has the molecular formula C30H27N3O and a molecular weight of 445.57 g/mol. Its IUPAC name is 1'-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylspiro[chromene-2,4'-piperidine].

Molecular Properties

Compound Name1'-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylspiro[chromene-2,4'-piperidine]
PubChem CID108773033
Molecular FormulaC30H27N3O
Molecular Weight445.57 g/mol
Exact Mass445.22
IUPAC Name1'-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylspiro[chromene-2,4'-piperidine]
SMILESCc1nc(-c2ccccc2)cc(N2CCC3(C=Cc4cc(-c5ccccc5)ccc4O3)CC2)n1
InChIInChI=1S/C30H27N3O/c1-22-31-27(24-10-6-3-7-11-24)21-29(32-22)33-18-16-30(17-19-33)15-14-26-20-25(12-13-28(26)34-30)23-8-4-2-5-9-23/h2-15,20-21H,16-19H2,1H3
InChIKeyCEFVLTFTPNHOBO-UHFFFAOYSA-N
XLogP6.56
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.57
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(6-chloro-2-ethylpyrimidin-4-yl)-6-phenylspiro[chromene-2,4'-piperidine]
CID 108773061
1-(2-methyl-6-phenylpyrimidin-4-yl)azepane
CID 16876766
N,N-diethyl-6-phenylspiro[chromene-2,4'-piperidine]-1'-carboxamide
CID 108730414
5-nitro-6-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)pyrimidin-4-amine
CID 108773037
6,8-dimethyl-1'-(2-methyl-6-phenylpyrimidin-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774501
(2-bromophenyl)-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)methanone
CID 108754025
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-methyl-6-phenylpyrimidine
CID 16812294
4-methyl-7-[2-oxo-2-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)ethoxy]chromen-2-one
CID 108730429
2-methyl-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 108736910
6-methoxy-1'-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108778692
(E)-2-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]-3-phenylprop-2-enenitrile
CID 108759837
5-chloro-2-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-1,3-benzoxazole
CID 108775276

Frequently Asked Questions

What is the IUPAC name of 1'-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylspiro[chromene-2,4'-piperidine]?
The IUPAC name of 1'-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylspiro[chromene-2,4'-piperidine] (CID 108773033) is 1'-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylspiro[chromene-2,4'-piperidine].
What is the SMILES notation for 1'-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylspiro[chromene-2,4'-piperidine]?
The canonical SMILES for 1'-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylspiro[chromene-2,4'-piperidine] is Cc1nc(-c2ccccc2)cc(N2CCC3(C=Cc4cc(-c5ccccc5)ccc4O3)CC2)n1.
What is the InChIKey of 1'-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylspiro[chromene-2,4'-piperidine]?
The InChIKey is CEFVLTFTPNHOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O/c1-22-31-27(24-10-6-3-7-11-24)21-29(32-22)33-18-16-30(17-19-33)15-14-26-20-25(12-13-28(26)34-30)23-8-4-2-5-9-23/h2-15,20-21H,16-19H2,1H3.
What are the key properties of 1'-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylspiro[chromene-2,4'-piperidine]?
1'-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylspiro[chromene-2,4'-piperidine] has a molecular weight of 445.57 g/mol, XLogP of 6.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylspiro[chromene-2,4'-piperidine] is sourced from PubChem (CID 108773033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).